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

C58H36N2S — CID 170448360

IUPAC21-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
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c(c4)Sc4cc6c(c7cccc-5c47)c4ccccc4n6-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C58H36N2S/c1-3-13-37(14-4-1)39-15-11-16-40(33-39)41-28-32-53-50(34-41)45-19-7-9-23-51(45)59(53)44-29-25-38(26-30-44)42-27-31-46-47-21-12-22-49-57-48-20-8-10-24-52(48)60(43-17-5-2-6-18-43)54(57)36-56(58(47)49)61-55(46)35-42/h1-36H
InChIKeyVFZLZQFWKQIUGE-UHFFFAOYSA-N
MW793.01 g/mol
LogP16.17
Rot. Bonds5

About 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

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 (PubChem CID 170448360) has the molecular formula C58H36N2S and a molecular weight of 793.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name21-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
PubChem CID170448360
Molecular FormulaC58H36N2S
Molecular Weight793.01 g/mol
Exact Mass792.26
IUPAC Name21-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
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c(c4)Sc4cc6c(c7cccc-5c47)c4ccccc4n6-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C58H36N2S/c1-3-13-37(14-4-1)39-15-11-16-40(33-39)41-28-32-53-50(34-41)45-19-7-9-23-51(45)59(53)44-29-25-38(26-30-44)42-27-31-46-47-21-12-22-49-57-48-20-8-10-24-52(48)60(43-17-5-2-6-18-43)54(57)36-56(58(47)49)61-55(46)35-42/h1-36H
InChIKeyVFZLZQFWKQIUGE-UHFFFAOYSA-N
XLogP16.17
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.01
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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
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-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
9-phenyl-3-(11-phenyl-8,21-dithiapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-3-yl)carbazole
CID 118860605
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590375
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
21-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]-2-oxa-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 167138118
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
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c(c4)Sc4cc6c(c7cccc-5c47)c4ccccc4n6-c4ccccc4)cc3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is VFZLZQFWKQIUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2S/c1-3-13-37(14-4-1)39-15-11-16-40(33-39)41-28-32-53-50(34-41)45-19-7-9-23-51(45)59(53)44-29-25-38(26-30-44)42-27-31-46-47-21-12-22-49-57-48-20-8-10-24-52(48)60(43-17-5-2-6-18-43)54(57)36-56(58(47)49)61-55(46)35-42/h1-36H.
What are the key properties of 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?
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 has a molecular weight of 793.01 g/mol, XLogP of 16.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170448360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).