21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene

C54H32N4S — CID 170448367

IUPAC21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7cccc8c7c(cc5n6-c5ccccc5)Sc5ccccc5-8)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C54H32N4S/c1-3-14-33(15-4-1)53-40-20-7-10-23-44(40)55-54(56-53)58-45-24-11-8-18-37(45)42-30-34(26-28-46(42)58)35-27-29-47-43(31-35)51-41-22-13-21-39-38-19-9-12-25-49(38)59-50(52(39)41)32-48(51)57(47)36-16-5-2-6-17-36/h1-32H
InChIKeyBFKDRUHGAWTSBO-UHFFFAOYSA-N
MW768.95 g/mol
LogP14.44
Rot. Bonds4

About 21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene

21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene (PubChem CID 170448367) has the molecular formula C54H32N4S and a molecular weight of 768.95 g/mol. Its IUPAC name is 21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene.

Molecular Properties

Compound Name21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
PubChem CID170448367
Molecular FormulaC54H32N4S
Molecular Weight768.95 g/mol
Exact Mass768.23
IUPAC Name21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7cccc8c7c(cc5n6-c5ccccc5)Sc5ccccc5-8)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C54H32N4S/c1-3-14-33(15-4-1)53-40-20-7-10-23-44(40)55-54(56-53)58-45-24-11-8-18-37(45)42-30-34(26-28-46(42)58)35-27-29-47-43(31-35)51-41-22-13-21-39-38-19-9-12-25-49(38)59-50(52(39)41)32-48(51)57(47)36-16-5-2-6-17-36/h1-32H
InChIKeyBFKDRUHGAWTSBO-UHFFFAOYSA-N
XLogP14.44
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.95
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene with MolForge

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Related Compounds

17-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-21-phenyl-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 170448366
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
15-[10-[9-(4-phenylphenyl)carbazol-3-yl]benzo[c]carbazol-7-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297370
4-phenyl-2-[3-(21-phenyl-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 167138101
3-[9-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 138475093
10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene
CID 135273957
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
21-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 170448329
9-phenyl-5-[9-(1-phenylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301130

Frequently Asked Questions

What is the IUPAC name of 21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene?
The IUPAC name of 21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene (CID 170448367) is 21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene.
What is the SMILES notation for 21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene?
The canonical SMILES for 21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene is c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7cccc8c7c(cc5n6-c5ccccc5)Sc5ccccc5-8)ccc43)nc3ccccc23)cc1.
What is the InChIKey of 21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene?
The InChIKey is BFKDRUHGAWTSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4S/c1-3-14-33(15-4-1)53-40-20-7-10-23-44(40)55-54(56-53)58-45-24-11-8-18-37(45)42-30-34(26-28-46(42)58)35-27-29-47-43(31-35)51-41-22-13-21-39-38-19-9-12-25-49(38)59-50(52(39)41)32-48(51)57(47)36-16-5-2-6-17-36/h1-32H.
What are the key properties of 21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene?
21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene has a molecular weight of 768.95 g/mol, XLogP of 14.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene is sourced from PubChem (CID 170448367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).