14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene

C215H150N20O3S2 — CID 161072514

IUPAC14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene
SMILESCC1(C)c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c2Oc2c1c1ccccc1n2-c1ccccc1.CC1(C)c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c2Oc2c1n(-c1ccccc1)c1ccccc21.CC1(C)c2ccccc2N(c2ccccc2)c2c1sc1c2ccc2c3ccccc3n(-c3nc(-c4ccccc4)c4ccccc4n3)c21.CC1(C)c2ccccc2Oc2c1c1ccc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c1n2-c1ccccc1.CC1(C)c2ccccc2Sc2c1c1ccc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c1n2-c1ccccc1
InChIInChI=1S/3C43H30N4O.2C43H30N4S/c1-43(2)33-21-11-14-24-36(33)48-41-37(43)32-26-25-30-29-19-10-13-23-35(29)47(39(30)40(32)46(41)28-17-7-4-8-18-28)42-44-34-22-12-9-20-31(34)38(45-42)27-15-5-3-6-16-27;1-43(2)33-26-25-30-29-19-10-13-23-35(29)47(42-44-34-22-12-9-20-31(34)38(45-42)27-15-5-3-6-16-27)39(30)40(33)48-41-37(43)32-21-11-14-24-36(32)46(41)28-17-7-4-8-18-28;1-43(2)33-26-25-30-29-19-10-13-23-35(29)47(42-44-34-22-12-9-20-31(34)37(45-42)27-15-5-3-6-16-27)38(30)40(33)48-39-32-21-11-14-24-36(32)46(41(39)43)28-17-7-4-8-18-28;1-43(2)33-21-11-14-24-36(33)48-41-37(43)32-26-25-30-29-19-10-13-23-35(29)47(39(30)40(32)46(41)28-17-7-4-8-18-28)42-44-34-22-12-9-20-31(34)38(45-42)27-15-5-3-6-16-27;1-43(2)33-21-11-14-24-36(33)46(28-17-7-4-8-18-28)39-32-26-25-30-29-19-10-13-23-35(29)47(38(30)40(32)48-41(39)43)42-44-34-22-12-9-20-31(34)37(45-42)27-15-5-3-6-16-27/h5*3-26H,1-2H3
InChIKeyUEVOSKPREJCGKN-UHFFFAOYSA-N
MW3125.84 g/mol
LogP55.15
Rot. Bonds15

About 14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene

14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene (PubChem CID 161072514) has the molecular formula C215H150N20O3S2 and a molecular weight of 3125.84 g/mol. Its IUPAC name is 14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene.

Molecular Properties

Compound Name14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene
PubChem CID161072514
Molecular FormulaC215H150N20O3S2
Molecular Weight3125.84 g/mol
Exact Mass3123.16
IUPAC Name14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene
SMILESCC1(C)c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c2Oc2c1c1ccccc1n2-c1ccccc1.CC1(C)c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c2Oc2c1n(-c1ccccc1)c1ccccc21.CC1(C)c2ccccc2N(c2ccccc2)c2c1sc1c2ccc2c3ccccc3n(-c3nc(-c4ccccc4)c4ccccc4n3)c21.CC1(C)c2ccccc2Oc2c1c1ccc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c1n2-c1ccccc1.CC1(C)c2ccccc2Sc2c1c1ccc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c1n2-c1ccccc1
InChIInChI=1S/3C43H30N4O.2C43H30N4S/c1-43(2)33-21-11-14-24-36(33)48-41-37(43)32-26-25-30-29-19-10-13-23-35(29)47(39(30)40(32)46(41)28-17-7-4-8-18-28)42-44-34-22-12-9-20-31(34)38(45-42)27-15-5-3-6-16-27;1-43(2)33-26-25-30-29-19-10-13-23-35(29)47(42-44-34-22-12-9-20-31(34)38(45-42)27-15-5-3-6-16-27)39(30)40(33)48-41-37(43)32-21-11-14-24-36(32)46(41)28-17-7-4-8-18-28;1-43(2)33-26-25-30-29-19-10-13-23-35(29)47(42-44-34-22-12-9-20-31(34)37(45-42)27-15-5-3-6-16-27)38(30)40(33)48-39-32-21-11-14-24-36(32)46(41(39)43)28-17-7-4-8-18-28;1-43(2)33-21-11-14-24-36(33)48-41-37(43)32-26-25-30-29-19-10-13-23-35(29)47(39(30)40(32)46(41)28-17-7-4-8-18-28)42-44-34-22-12-9-20-31(34)38(45-42)27-15-5-3-6-16-27;1-43(2)33-21-11-14-24-36(33)46(28-17-7-4-8-18-28)39-32-26-25-30-29-19-10-13-23-35(29)47(38(30)40(32)48-41(39)43)42-44-34-22-12-9-20-31(34)37(45-42)27-15-5-3-6-16-27/h5*3-26H,1-2H3
InChIKeyUEVOSKPREJCGKN-UHFFFAOYSA-N
XLogP55.15
TPSA204.20 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003125.84
LogP ≤ 555.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene?
The IUPAC name of 14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene (CID 161072514) is 14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene.
What is the SMILES notation for 14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene?
The canonical SMILES for 14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene is CC1(C)c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c2Oc2c1c1ccccc1n2-c1ccccc1.CC1(C)c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c2Oc2c1n(-c1ccccc1)c1ccccc21.CC1(C)c2ccccc2N(c2ccccc2)c2c1sc1c2ccc2c3ccccc3n(-c3nc(-c4ccccc4)c4ccccc4n3)c21.CC1(C)c2ccccc2Oc2c1c1ccc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c1n2-c1ccccc1.CC1(C)c2ccccc2Sc2c1c1ccc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c1n2-c1ccccc1.
What is the InChIKey of 14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene?
The InChIKey is UEVOSKPREJCGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C43H30N4O.2C43H30N4S/c1-43(2)33-21-11-14-24-36(33)48-41-37(43)32-26-25-30-29-19-10-13-23-35(29)47(39(30)40(32)46(41)28-17-7-4-8-18-28)42-44-34-22-12-9-20-31(34)38(45-42)27-15-5-3-6-16-27;1-43(2)33-26-25-30-29-19-10-13-23-35(29)47(42-44-34-22-12-9-20-31(34)38(45-42)27-15-5-3-6-16-27)39(30)40(33)48-41-37(43)32-21-11-14-24-36(32)46(41)28-17-7-4-8-18-28;1-43(2)33-26-25-30-29-19-10-13-23-35(29)47(42-44-34-22-12-9-20-31(34)37(45-42)27-15-5-3-6-16-27)38(30)40(33)48-39-32-21-11-14-24-36(32)46(41(39)43)28-17-7-4-8-18-28;1-43(2)33-21-11-14-24-36(33)48-41-37(43)32-26-25-30-29-19-10-13-23-35(29)47(39(30)40(32)46(41)28-17-7-4-8-18-28)42-44-34-22-12-9-20-31(34)38(45-42)27-15-5-3-6-16-27;1-43(2)33-21-11-14-24-36(33)46(28-17-7-4-8-18-28)39-32-26-25-30-29-19-10-13-23-35(29)47(38(30)40(32)48-41(39)43)42-44-34-22-12-9-20-31(34)37(45-42)27-15-5-3-6-16-27/h5*3-26H,1-2H3.
What are the key properties of 14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene?
14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene has a molecular weight of 3125.84 g/mol, XLogP of 55.15, 15 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene is sourced from PubChem (CID 161072514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).