9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole

C60H42N2S2 — CID 169408875

IUPAC9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3cc4ccc3CCc3ccc(c(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)s5)c3)CC4)s2)cc1
InChIInChI=1S/C60H42N2S2/c1-5-13-53-47(9-1)48-10-2-6-14-54(48)61(53)45-29-25-43(26-30-45)57-33-35-59(63-57)51-37-39-17-21-41(51)23-19-40-18-22-42(24-20-39)52(38-40)60-36-34-58(64-60)44-27-31-46(32-28-44)62-55-15-7-3-11-49(55)50-12-4-8-16-56(50)62/h1-18,21-22,25-38H,19-20,23-24H2
InChIKeyWHSOXNXKLMPMCN-UHFFFAOYSA-N
MW855.14 g/mol
LogP16.56
Rot. Bonds6

About 9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole

9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole (PubChem CID 169408875) has the molecular formula C60H42N2S2 and a molecular weight of 855.14 g/mol. Its IUPAC name is 9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole
PubChem CID169408875
Molecular FormulaC60H42N2S2
Molecular Weight855.14 g/mol
Exact Mass854.28
IUPAC Name9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3cc4ccc3CCc3ccc(c(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)s5)c3)CC4)s2)cc1
InChIInChI=1S/C60H42N2S2/c1-5-13-53-47(9-1)48-10-2-6-14-54(48)61(53)45-29-25-43(26-30-45)57-33-35-59(63-57)51-37-39-17-21-41(51)23-19-40-18-22-42(24-20-39)52(38-40)60-36-34-58(64-60)44-27-31-46(32-28-44)62-55-15-7-3-11-49(55)50-12-4-8-16-56(50)62/h1-18,21-22,25-38H,19-20,23-24H2
InChIKeyWHSOXNXKLMPMCN-UHFFFAOYSA-N
XLogP16.56
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.14
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole with MolForge

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Related Compounds

9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole
CID 169408871
9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole
CID 177093533
3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole
CID 161117587
9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole
CID 59236651
9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole
CID 135167845
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]aniline
CID 71038551
3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 177093517
5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde
CID 102137747
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 160673575

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole (CID 169408875) is 9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3cc4ccc3CCc3ccc(c(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)s5)c3)CC4)s2)cc1.
What is the InChIKey of 9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole?
The InChIKey is WHSOXNXKLMPMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2S2/c1-5-13-53-47(9-1)48-10-2-6-14-54(48)61(53)45-29-25-43(26-30-45)57-33-35-59(63-57)51-37-39-17-21-41(51)23-19-40-18-22-42(24-20-39)52(38-40)60-36-34-58(64-60)44-27-31-46(32-28-44)62-55-15-7-3-11-49(55)50-12-4-8-16-56(50)62/h1-18,21-22,25-38H,19-20,23-24H2.
What are the key properties of 9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole?
9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole has a molecular weight of 855.14 g/mol, XLogP of 16.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole is sourced from PubChem (CID 169408875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).