2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole

C60H64N2 — CID 102352283

IUPAC2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole
SMILESc1cc(-n2c3cc(C4CCCCC4)ccc3c3ccc(C4CCCCC4)cc32)ccc1-c1ccc(-n2c3cc(C4CCCCC4)ccc3c3ccc(C4CCCCC4)cc32)cc1
InChIInChI=1S/C60H64N2/c1-5-13-41(14-6-1)47-25-33-53-54-34-26-48(42-15-7-2-8-16-42)38-58(54)61(57(53)37-47)51-29-21-45(22-30-51)46-23-31-52(32-24-46)62-59-39-49(43-17-9-3-10-18-43)27-35-55(59)56-36-28-50(40-60(56)62)44-19-11-4-12-20-44/h21-44H,1-20H2
InChIKeyXAHDLXAWWSFKNB-UHFFFAOYSA-N
MW813.19 g/mol
LogP17.74
Rot. Bonds7

About 2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole

2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 102352283) has the molecular formula C60H64N2 and a molecular weight of 813.19 g/mol. Its IUPAC name is 2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole
PubChem CID102352283
Molecular FormulaC60H64N2
Molecular Weight813.19 g/mol
Exact Mass812.51
IUPAC Name2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole
SMILESc1cc(-n2c3cc(C4CCCCC4)ccc3c3ccc(C4CCCCC4)cc32)ccc1-c1ccc(-n2c3cc(C4CCCCC4)ccc3c3ccc(C4CCCCC4)cc32)cc1
InChIInChI=1S/C60H64N2/c1-5-13-41(14-6-1)47-25-33-53-54-34-26-48(42-15-7-2-8-16-42)38-58(54)61(57(53)37-47)51-29-21-45(22-30-51)46-23-31-52(32-24-46)62-59-39-49(43-17-9-3-10-18-43)27-35-55(59)56-36-28-50(40-60(56)62)44-19-11-4-12-20-44/h21-44H,1-20H2
InChIKeyXAHDLXAWWSFKNB-UHFFFAOYSA-N
XLogP17.74
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.19
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 176779671
[3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 176779773
N-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine
CID 164774340
2-[9-(4-cyclohexylphenyl)carbazol-3-yl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 140916221
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
[3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 176779818
9-[4-(4-cyclohexylphenyl)phenyl]-N-(2,4-diphenylphenyl)-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177128271
N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028413
7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 164948696
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169028788
10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole
CID 145018290

Frequently Asked Questions

What is the IUPAC name of 2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole (CID 102352283) is 2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole is c1cc(-n2c3cc(C4CCCCC4)ccc3c3ccc(C4CCCCC4)cc32)ccc1-c1ccc(-n2c3cc(C4CCCCC4)ccc3c3ccc(C4CCCCC4)cc32)cc1.
What is the InChIKey of 2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole?
The InChIKey is XAHDLXAWWSFKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H64N2/c1-5-13-41(14-6-1)47-25-33-53-54-34-26-48(42-15-7-2-8-16-42)38-58(54)61(57(53)37-47)51-29-21-45(22-30-51)46-23-31-52(32-24-46)62-59-39-49(43-17-9-3-10-18-43)27-35-55(59)56-36-28-50(40-60(56)62)44-19-11-4-12-20-44/h21-44H,1-20H2.
What are the key properties of 2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole?
2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 813.19 g/mol, XLogP of 17.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 102352283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).