9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole

C64H56N2O — CID 159778762

IUPAC9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole
SMILESCOc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(C(C)(C)C)cc3)c(-c3ccc(C)cc3)cc2-c2ccc3c(c2)c2ccccc2n3-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C64H56N2O/c1-41-17-19-42(20-18-41)53-39-56(45-24-36-62-58(38-45)52-14-10-12-16-60(52)66(62)49-31-27-47(28-32-49)64(5,6)7)54(43-21-33-50(67-8)34-22-43)40-55(53)44-23-35-61-57(37-44)51-13-9-11-15-59(51)65(61)48-29-25-46(26-30-48)63(2,3)4/h9-40H,1-8H3
InChIKeyGDXPZMBACJKMRU-UHFFFAOYSA-N
MW869.16 g/mol
LogP17.46
Rot. Bonds7

About 9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole

9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole (PubChem CID 159778762) has the molecular formula C64H56N2O and a molecular weight of 869.16 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole
PubChem CID159778762
Molecular FormulaC64H56N2O
Molecular Weight869.16 g/mol
Exact Mass868.44
IUPAC Name9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole
SMILESCOc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(C(C)(C)C)cc3)c(-c3ccc(C)cc3)cc2-c2ccc3c(c2)c2ccccc2n3-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C64H56N2O/c1-41-17-19-42(20-18-41)53-39-56(45-24-36-62-58(38-45)52-14-10-12-16-60(52)66(62)49-31-27-47(28-32-49)64(5,6)7)54(43-21-33-50(67-8)34-22-43)40-55(53)44-23-35-61-57(37-44)51-13-9-11-15-59(51)65(61)48-29-25-46(26-30-48)63(2,3)4/h9-40H,1-8H3
InChIKeyGDXPZMBACJKMRU-UHFFFAOYSA-N
XLogP17.46
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.16
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
3,6-ditert-butyl-9-[4-[4-(4-carbazol-9-ylphenyl)-2,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]carbazole
CID 146556924
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole
CID 162176343
9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 159405413
3-(4-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 130412631
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole
CID 161371248
9-(4-tert-butylphenyl)-3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]carbazole
CID 59501160
2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903
9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991829

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole?
The IUPAC name of 9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole (CID 159778762) is 9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole?
The canonical SMILES for 9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole is COc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(C(C)(C)C)cc3)c(-c3ccc(C)cc3)cc2-c2ccc3c(c2)c2ccccc2n3-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole?
The InChIKey is GDXPZMBACJKMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N2O/c1-41-17-19-42(20-18-41)53-39-56(45-24-36-62-58(38-45)52-14-10-12-16-60(52)66(62)49-31-27-47(28-32-49)64(5,6)7)54(43-21-33-50(67-8)34-22-43)40-55(53)44-23-35-61-57(37-44)51-13-9-11-15-59(51)65(61)48-29-25-46(26-30-48)63(2,3)4/h9-40H,1-8H3.
What are the key properties of 9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole?
9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole has a molecular weight of 869.16 g/mol, XLogP of 17.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole is sourced from PubChem (CID 159778762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).