21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene

C56H34N2S — CID 170448474

IUPAC21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4c(c3)Sc3cccc5c3c-4cc3c5c4ccccc4n3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C56H34N2S/c1-2-11-35(12-3-1)39-25-30-51-47(32-39)43-15-6-8-18-49(43)57(51)41-26-21-37(22-27-41)40-24-29-44-48-34-52-55(46-17-10-20-53(56(46)48)59-54(44)33-40)45-16-7-9-19-50(45)58(52)42-28-23-36-13-4-5-14-38(36)31-42/h1-34H
InChIKeyIMEQFLRYWUUDPR-UHFFFAOYSA-N
MW766.97 g/mol
LogP15.65
Rot. Bonds4

About 21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene

21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene (PubChem CID 170448474) has the molecular formula C56H34N2S and a molecular weight of 766.97 g/mol. Its IUPAC name is 21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene.

Molecular Properties

Compound Name21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
PubChem CID170448474
Molecular FormulaC56H34N2S
Molecular Weight766.97 g/mol
Exact Mass766.24
IUPAC Name21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4c(c3)Sc3cccc5c3c-4cc3c5c4ccccc4n3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C56H34N2S/c1-2-11-35(12-3-1)39-25-30-51-47(32-39)43-15-6-8-18-49(43)57(51)41-26-21-37(22-27-41)40-24-29-44-48-34-52-55(46-17-10-20-53(56(46)48)59-54(44)33-40)45-16-7-9-19-50(45)58(52)42-28-23-36-13-4-5-14-38(36)31-42/h1-34H
InChIKeyIMEQFLRYWUUDPR-UHFFFAOYSA-N
XLogP15.65
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.97
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene with MolForge

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Related Compounds

21-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
CID 167137882
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
21-phenyl-5-[4-[3-(3-phenylphenyl)carbazol-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 170448360
21-naphthalen-2-yl-5-[3-(3-phenylphenyl)carbazol-9-yl]-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
CID 170448395
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
3-[3-[2-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764145
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[3-(2-phenylphenyl)phenyl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165109371
6-(3,6-diphenylcarbazol-9-yl)-21-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 167137734
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162

Frequently Asked Questions

What is the IUPAC name of 21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene?
The IUPAC name of 21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene (CID 170448474) is 21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene.
What is the SMILES notation for 21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene?
The canonical SMILES for 21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4c(c3)Sc3cccc5c3c-4cc3c5c4ccccc4n3-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene?
The InChIKey is IMEQFLRYWUUDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2S/c1-2-11-35(12-3-1)39-25-30-51-47(32-39)43-15-6-8-18-49(43)57(51)41-26-21-37(22-27-41)40-24-29-44-48-34-52-55(46-17-10-20-53(56(46)48)59-54(44)33-40)45-16-7-9-19-50(45)58(52)42-28-23-36-13-4-5-14-38(36)31-42/h1-34H.
What are the key properties of 21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene?
21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene has a molecular weight of 766.97 g/mol, XLogP of 15.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene is sourced from PubChem (CID 170448474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).