9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene

C159H106N6O2 — CID 159811110

IUPAC9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1cc3c(cc21)c1ccccc1n3-c1cc2cccc3ccc4cccc1c4c32.CC1(C)c2ccccc2-c2c1ccc1cc3c(cc21)c1ccccc1n3-c1cccc(-c2ccccc2)c1.CC1(C)c2ccccc2-c2c1ccc1cc3c(cc21)c1ccccc1n3-c1ccccc1.c1ccc(-c2ccc3c(c2)c2cc4c(ccc5c6ccccc6oc45)cc2n3-c2cccc(-c3nc(-c4ccccc4)c4c(n3)oc3ccccc34)c2)cc1
InChIInChI=1S/C50H29N3O2.C41H27N.C37H27N.C31H23N/c1-3-12-30(13-4-1)32-23-25-42-40(27-32)41-29-39-33(22-24-37-36-18-7-9-20-44(36)54-48(37)39)28-43(41)53(42)35-17-11-16-34(26-35)49-51-47(31-14-5-2-6-15-31)46-38-19-8-10-21-45(38)55-50(46)52-49;1-41(2)33-15-5-3-13-29(33)40-31-23-32-28-12-4-6-16-35(28)42(37(32)21-26(31)19-20-34(40)41)36-22-27-11-7-9-24-17-18-25-10-8-14-30(36)39(25)38(24)27;1-37(2)32-17-8-6-16-29(32)36-30-23-31-28-15-7-9-18-34(28)38(35(31)22-26(30)19-20-33(36)37)27-14-10-13-25(21-27)24-11-4-3-5-12-24;1-31(2)26-14-8-6-13-23(26)30-24-19-25-22-12-7-9-15-28(22)32(21-10-4-3-5-11-21)29(25)18-20(24)16-17-27(30)31/h1-29H;3-23H,1-2H3;3-23H,1-2H3;3-19H,1-2H3
InChIKeyNLALZUZUNZEGRO-UHFFFAOYSA-N
MW2132.64 g/mol
LogP42.82
Rot. Bonds8

About 9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene

9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene (PubChem CID 159811110) has the molecular formula C159H106N6O2 and a molecular weight of 2132.64 g/mol. Its IUPAC name is 9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene.

Molecular Properties

Compound Name9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
PubChem CID159811110
Molecular FormulaC159H106N6O2
Molecular Weight2132.64 g/mol
Exact Mass2130.84
IUPAC Name9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1cc3c(cc21)c1ccccc1n3-c1cc2cccc3ccc4cccc1c4c32.CC1(C)c2ccccc2-c2c1ccc1cc3c(cc21)c1ccccc1n3-c1cccc(-c2ccccc2)c1.CC1(C)c2ccccc2-c2c1ccc1cc3c(cc21)c1ccccc1n3-c1ccccc1.c1ccc(-c2ccc3c(c2)c2cc4c(ccc5c6ccccc6oc45)cc2n3-c2cccc(-c3nc(-c4ccccc4)c4c(n3)oc3ccccc34)c2)cc1
InChIInChI=1S/C50H29N3O2.C41H27N.C37H27N.C31H23N/c1-3-12-30(13-4-1)32-23-25-42-40(27-32)41-29-39-33(22-24-37-36-18-7-9-20-44(36)54-48(37)39)28-43(41)53(42)35-17-11-16-34(26-35)49-51-47(31-14-5-2-6-15-31)46-38-19-8-10-21-45(38)55-50(46)52-49;1-41(2)33-15-5-3-13-29(33)40-31-23-32-28-12-4-6-16-35(28)42(37(32)21-26(31)19-20-34(40)41)36-22-27-11-7-9-24-17-18-25-10-8-14-30(36)39(25)38(24)27;1-37(2)32-17-8-6-16-29(32)36-30-23-31-28-15-7-9-18-34(28)38(35(31)22-26(30)19-20-33(36)37)27-14-10-13-25(21-27)24-11-4-3-5-12-24;1-31(2)26-14-8-6-13-23(26)30-24-19-25-22-12-7-9-15-28(22)32(21-10-4-3-5-11-21)29(25)18-20(24)16-17-27(30)31/h1-29H;3-23H,1-2H3;3-23H,1-2H3;3-19H,1-2H3
InChIKeyNLALZUZUNZEGRO-UHFFFAOYSA-N
XLogP42.82
TPSA71.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002132.64
LogP ≤ 542.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene with MolForge

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Related Compounds

20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
CID 126718537
22-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-19-(9-phenylcarbazol-2-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 126621816
15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 159912308
7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130333597
2-[3-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-[3-(6,9-diphenylcarbazol-4-yl)phenyl]phenyl]-2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 163495348
2-(4-dibenzofuran-2-ylphenyl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-1-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 159534848
9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223723
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
CID 118099086
2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174312040
19-(9,9-dimethylfluoren-2-yl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;8,15-diphenyl-19-(3-phenylphenyl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 157124821
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099085
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene?
The IUPAC name of 9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene (CID 159811110) is 9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene.
What is the SMILES notation for 9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene?
The canonical SMILES for 9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene is CC1(C)c2ccccc2-c2c1ccc1cc3c(cc21)c1ccccc1n3-c1cc2cccc3ccc4cccc1c4c32.CC1(C)c2ccccc2-c2c1ccc1cc3c(cc21)c1ccccc1n3-c1cccc(-c2ccccc2)c1.CC1(C)c2ccccc2-c2c1ccc1cc3c(cc21)c1ccccc1n3-c1ccccc1.c1ccc(-c2ccc3c(c2)c2cc4c(ccc5c6ccccc6oc45)cc2n3-c2cccc(-c3nc(-c4ccccc4)c4c(n3)oc3ccccc34)c2)cc1.
What is the InChIKey of 9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene?
The InChIKey is NLALZUZUNZEGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N3O2.C41H27N.C37H27N.C31H23N/c1-3-12-30(13-4-1)32-23-25-42-40(27-32)41-29-39-33(22-24-37-36-18-7-9-20-44(36)54-48(37)39)28-43(41)53(42)35-17-11-16-34(26-35)49-51-47(31-14-5-2-6-15-31)46-38-19-8-10-21-45(38)55-50(46)52-49;1-41(2)33-15-5-3-13-29(33)40-31-23-32-28-12-4-6-16-35(28)42(37(32)21-26(31)19-20-34(40)41)36-22-27-11-7-9-24-17-18-25-10-8-14-30(36)39(25)38(24)27;1-37(2)32-17-8-6-16-29(32)36-30-23-31-28-15-7-9-18-34(28)38(35(31)22-26(30)19-20-33(36)37)27-14-10-13-25(21-27)24-11-4-3-5-12-24;1-31(2)26-14-8-6-13-23(26)30-24-19-25-22-12-7-9-15-28(22)32(21-10-4-3-5-11-21)29(25)18-20(24)16-17-27(30)31/h1-29H;3-23H,1-2H3;3-23H,1-2H3;3-19H,1-2H3.
What are the key properties of 9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene?
9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene has a molecular weight of 2132.64 g/mol, XLogP of 42.82, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;9,9-dimethyl-16-pyren-4-yl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene is sourced from PubChem (CID 159811110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).