9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole

C59H46N2 — CID 170073064

IUPAC9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILESCc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)ccc4n(-c4ccc(-c5ccc(C(C)(C)C)cc5)cc4)c3c2)cc1
InChIInChI=1S/C59H46N2/c1-39-14-16-44(17-15-39)47-24-33-52-54-37-46(26-35-57(54)61(58(52)38-47)50-31-22-43(23-32-50)41-18-27-48(28-19-41)59(2,3)4)45-25-34-56-53(36-45)51-12-8-9-13-55(51)60(56)49-29-20-42(21-30-49)40-10-6-5-7-11-40/h5-38H,1-4H3
InChIKeyPKPONYGVMABZNP-UHFFFAOYSA-N
MW783.03 g/mol
LogP16.15
Rot. Bonds6

About 9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole

9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 170073064) has the molecular formula C59H46N2 and a molecular weight of 783.03 g/mol. Its IUPAC name is 9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
PubChem CID170073064
Molecular FormulaC59H46N2
Molecular Weight783.03 g/mol
Exact Mass782.37
IUPAC Name9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILESCc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)ccc4n(-c4ccc(-c5ccc(C(C)(C)C)cc5)cc4)c3c2)cc1
InChIInChI=1S/C59H46N2/c1-39-14-16-44(17-15-39)47-24-33-52-54-37-46(26-35-57(54)61(58(52)38-47)50-31-22-43(23-32-50)41-18-27-48(28-19-41)59(2,3)4)45-25-34-56-53(36-45)51-12-8-9-13-55(51)60(56)49-29-20-42(21-30-49)40-10-6-5-7-11-40/h5-38H,1-4H3
InChIKeyPKPONYGVMABZNP-UHFFFAOYSA-N
XLogP16.15
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.03
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 118231168
2-phenyl-9-(4-phenylphenyl)-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170072561
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole (CID 170073064) is 9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole is Cc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)ccc4n(-c4ccc(-c5ccc(C(C)(C)C)cc5)cc4)c3c2)cc1.
What is the InChIKey of 9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The InChIKey is PKPONYGVMABZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N2/c1-39-14-16-44(17-15-39)47-24-33-52-54-37-46(26-35-57(54)61(58(52)38-47)50-31-22-43(23-32-50)41-18-27-48(28-19-41)59(2,3)4)45-25-34-56-53(36-45)51-12-8-9-13-55(51)60(56)49-29-20-42(21-30-49)40-10-6-5-7-11-40/h5-38H,1-4H3.
What are the key properties of 9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole has a molecular weight of 783.03 g/mol, XLogP of 16.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 170073064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).