21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene

C151H102N12S4 — CID 160903658

IUPAC21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene
SMILESCC1(C)c2ccccc2-c2c1sc1c2ccc2c3ccccc3n(-c3nc(-c4ccc5ccccc5c4)c4ccccc4n3)c21.CC1(C)c2ccccc2-c2c1sc1c2ccc2c3ccccc3n(-c3nc(-c4cccc5ccccc45)c4ccccc4n3)c21.Cc1nc(-n2c3ccccc3c3ccc4c5c(sc4c32)C(C)(C)c2ccccc2-5)nc2ccccc12.[2H]c1c([2H])c([2H])c(-c2nc(-n3c4ccccc4c4ccc5c6c(sc5c43)C(C)(C)c3ccccc3-6)nc3ccccc23)c([2H])c1[2H]
InChIInChI=1S/2C41H27N3S.C37H25N3S.C32H23N3S/c1-41(2)32-19-8-5-16-29(32)35-31-23-22-28-26-15-7-10-21-34(26)44(37(28)38(31)45-39(35)41)40-42-33-20-9-6-17-30(33)36(43-40)27-18-11-13-24-12-3-4-14-25(24)27;1-41(2)32-16-8-5-14-29(32)35-31-22-21-28-27-13-7-10-18-34(27)44(37(28)38(31)45-39(35)41)40-42-33-17-9-6-15-30(33)36(43-40)26-20-19-24-11-3-4-12-25(24)23-26;1-37(2)28-17-9-6-15-25(28)31-27-21-20-24-23-14-8-11-19-30(23)40(33(24)34(27)41-35(31)37)36-38-29-18-10-7-16-26(29)32(39-36)22-12-4-3-5-13-22;1-18-19-10-5-8-14-25(19)34-31(33-18)35-26-15-9-6-11-20(26)21-16-17-23-27-22-12-4-7-13-24(22)32(2,3)30(27)36-29(23)28(21)35/h2*3-23H,1-2H3;3-21H,1-2H3;4-17H,1-3H3/i;;3D,4D,5D,12D,13D;
InChIKeySPVNILJGQDKLAZ-RIAZZBICSA-N
MW2217.86 g/mol
LogP40.61
Rot. Bonds7

About 21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene

21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene (PubChem CID 160903658) has the molecular formula C151H102N12S4 and a molecular weight of 2217.86 g/mol. Its IUPAC name is 21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene.

Molecular Properties

Compound Name21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene
PubChem CID160903658
Molecular FormulaC151H102N12S4
Molecular Weight2217.86 g/mol
Exact Mass2215.75
IUPAC Name21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene
SMILESCC1(C)c2ccccc2-c2c1sc1c2ccc2c3ccccc3n(-c3nc(-c4ccc5ccccc5c4)c4ccccc4n3)c21.CC1(C)c2ccccc2-c2c1sc1c2ccc2c3ccccc3n(-c3nc(-c4cccc5ccccc45)c4ccccc4n3)c21.Cc1nc(-n2c3ccccc3c3ccc4c5c(sc4c32)C(C)(C)c2ccccc2-5)nc2ccccc12.[2H]c1c([2H])c([2H])c(-c2nc(-n3c4ccccc4c4ccc5c6c(sc5c43)C(C)(C)c3ccccc3-6)nc3ccccc23)c([2H])c1[2H]
InChIInChI=1S/2C41H27N3S.C37H25N3S.C32H23N3S/c1-41(2)32-19-8-5-16-29(32)35-31-23-22-28-26-15-7-10-21-34(26)44(37(28)38(31)45-39(35)41)40-42-33-20-9-6-17-30(33)36(43-40)27-18-11-13-24-12-3-4-14-25(24)27;1-41(2)32-16-8-5-14-29(32)35-31-22-21-28-27-13-7-10-18-34(27)44(37(28)38(31)45-39(35)41)40-42-33-17-9-6-15-30(33)36(43-40)26-20-19-24-11-3-4-12-25(24)23-26;1-37(2)28-17-9-6-15-25(28)31-27-21-20-24-23-14-8-11-19-30(23)40(33(24)34(27)41-35(31)37)36-38-29-18-10-7-16-26(29)32(39-36)22-12-4-3-5-13-22;1-18-19-10-5-8-14-25(19)34-31(33-18)35-26-15-9-6-11-20(26)21-16-17-23-27-22-12-4-7-13-24(22)32(2,3)30(27)36-29(23)28(21)35/h2*3-23H,1-2H3;3-21H,1-2H3;4-17H,1-3H3/i;;3D,4D,5D,12D,13D;
InChIKeySPVNILJGQDKLAZ-RIAZZBICSA-N
XLogP40.61
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002217.86
LogP ≤ 540.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene with MolForge

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Related Compounds

21,21-dimethyl-3-(6-naphthalen-1-yl-4-phenylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene
CID 118602246
21,21-dimethyl-3-(4-phenylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene
CID 118602265
13,13-dimethyl-18-(4-phenylquinazolin-2-yl)-15-thia-18-azaheptacyclo[14.11.0.02,14.03,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,17(25),19,21,23,26-dodecaene
CID 118602379
21,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene
CID 118602276
21,21-dimethyl-13-(4-naphthalen-2-ylquinazolin-2-yl)-13-azaheptacyclo[14.11.1.02,14.03,12.06,11.020,28.022,27]octacosa-1(28),2(14),3(12),4,6,8,10,15,17,19,22,24,26-tridecaene
CID 134510099
3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 118602172
21,21-dimethyl-3-(4-phenylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;15,15-dimethyl-3-quinazolin-2-yl-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole;15-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 165073368
15,15-dimethyl-6-(3-phenylphenyl)-3-(4-phenylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20-decaene
CID 118602162
12-(4-dibenzothiophen-2-ylquinazolin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole
CID 71291239
5-[4-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole
CID 161250463
12-(9,9-dimethylfluoren-2-yl)-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-(4-naphthalen-1-ylquinazolin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-(4-naphthalen-2-ylquinazolin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 158538438
5-[11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole;5-[11-(4-naphthalen-1-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole;5-(11-phenylbenzo[a]carbazol-5-yl)-11-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[a]carbazole
CID 159898026

Frequently Asked Questions

What is the IUPAC name of 21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene?
The IUPAC name of 21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene (CID 160903658) is 21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene.
What is the SMILES notation for 21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene?
The canonical SMILES for 21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene is CC1(C)c2ccccc2-c2c1sc1c2ccc2c3ccccc3n(-c3nc(-c4ccc5ccccc5c4)c4ccccc4n3)c21.CC1(C)c2ccccc2-c2c1sc1c2ccc2c3ccccc3n(-c3nc(-c4cccc5ccccc45)c4ccccc4n3)c21.Cc1nc(-n2c3ccccc3c3ccc4c5c(sc4c32)C(C)(C)c2ccccc2-5)nc2ccccc12.[2H]c1c([2H])c([2H])c(-c2nc(-n3c4ccccc4c4ccc5c6c(sc5c43)C(C)(C)c3ccccc3-6)nc3ccccc23)c([2H])c1[2H].
What is the InChIKey of 21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene?
The InChIKey is SPVNILJGQDKLAZ-RIAZZBICSA-N. The full InChI is InChI=1S/2C41H27N3S.C37H25N3S.C32H23N3S/c1-41(2)32-19-8-5-16-29(32)35-31-23-22-28-26-15-7-10-21-34(26)44(37(28)38(31)45-39(35)41)40-42-33-20-9-6-17-30(33)36(43-40)27-18-11-13-24-12-3-4-14-25(24)27;1-41(2)32-16-8-5-14-29(32)35-31-22-21-28-27-13-7-10-18-34(27)44(37(28)38(31)45-39(35)41)40-42-33-17-9-6-15-30(33)36(43-40)26-20-19-24-11-3-4-12-25(24)23-26;1-37(2)28-17-9-6-15-25(28)31-27-21-20-24-23-14-8-11-19-30(23)40(33(24)34(27)41-35(31)37)36-38-29-18-10-7-16-26(29)32(39-36)22-12-4-3-5-13-22;1-18-19-10-5-8-14-25(19)34-31(33-18)35-26-15-9-6-11-20(26)21-16-17-23-27-22-12-4-7-13-24(22)32(2,3)30(27)36-29(23)28(21)35/h2*3-23H,1-2H3;3-21H,1-2H3;4-17H,1-3H3/i;;3D,4D,5D,12D,13D;.
What are the key properties of 21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene?
21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene has a molecular weight of 2217.86 g/mol, XLogP of 40.61, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 21,21-dimethyl-3-(4-methylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-1-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;21,21-dimethyl-3-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene is sourced from PubChem (CID 160903658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).