9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole

C62H61N9 — CID 158021490

IUPAC9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole
SMILESCc1ccc(N2C=CN(c3ccc4c5ccc(N6C=CN(c7ccc(C)cc7)C6)cc5n(-c5cc(N6C=CN(c7ccc(C)cc7)C6)c(C(C)(C)C)c(N6C=CN(c7ccc(C)cc7)C6)c5)c4c3)C2)cc1
InChIInChI=1S/C62H61N9/c1-44-8-16-48(17-9-44)63-28-30-67(40-63)52-24-26-55-56-27-25-53(68-31-29-64(41-68)49-18-10-45(2)11-19-49)37-58(56)71(57(55)36-52)54-38-59(69-34-32-65(42-69)50-20-12-46(3)13-21-50)61(62(5,6)7)60(39-54)70-35-33-66(43-70)51-22-14-47(4)15-23-51/h8-39H,40-43H2,1-7H3
InChIKeyDOCWQQGLSZXUID-UHFFFAOYSA-N
MW932.23 g/mol
LogP14.34
Rot. Bonds9

About 9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole

9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole (PubChem CID 158021490) has the molecular formula C62H61N9 and a molecular weight of 932.23 g/mol. Its IUPAC name is 9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole.

Molecular Properties

Compound Name9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole
PubChem CID158021490
Molecular FormulaC62H61N9
Molecular Weight932.23 g/mol
Exact Mass931.50
IUPAC Name9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole
SMILESCc1ccc(N2C=CN(c3ccc4c5ccc(N6C=CN(c7ccc(C)cc7)C6)cc5n(-c5cc(N6C=CN(c7ccc(C)cc7)C6)c(C(C)(C)C)c(N6C=CN(c7ccc(C)cc7)C6)c5)c4c3)C2)cc1
InChIInChI=1S/C62H61N9/c1-44-8-16-48(17-9-44)63-28-30-67(40-63)52-24-26-55-56-27-25-53(68-31-29-64(41-68)49-18-10-45(2)11-19-49)37-58(56)71(57(55)36-52)54-38-59(69-34-32-65(42-69)50-20-12-46(3)13-21-50)61(62(5,6)7)60(39-54)70-35-33-66(43-70)51-22-14-47(4)15-23-51/h8-39H,40-43H2,1-7H3
InChIKeyDOCWQQGLSZXUID-UHFFFAOYSA-N
XLogP14.34
TPSA30.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.23
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole
CID 158431183
1-bromo-3-(4-methylphenyl)-2H-imidazole
CID 174729207
8,14-bis(4-tert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-dimethyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 155618104
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole
CID 155652244
1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride
CID 175397918
9-[3,5-bis(3-tert-butyl-6-methylcarbazol-9-yl)phenyl]-3-tert-butyl-6-methylcarbazole
CID 59399788
9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole
CID 163669728
9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991829
6-tert-butyl-2-[3-[3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 159054431
[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium
CID 155651850
9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole
CID 162263550

Frequently Asked Questions

What is the IUPAC name of 9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole?
The IUPAC name of 9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole (CID 158021490) is 9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole.
What is the SMILES notation for 9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole?
The canonical SMILES for 9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole is Cc1ccc(N2C=CN(c3ccc4c5ccc(N6C=CN(c7ccc(C)cc7)C6)cc5n(-c5cc(N6C=CN(c7ccc(C)cc7)C6)c(C(C)(C)C)c(N6C=CN(c7ccc(C)cc7)C6)c5)c4c3)C2)cc1.
What is the InChIKey of 9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole?
The InChIKey is DOCWQQGLSZXUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H61N9/c1-44-8-16-48(17-9-44)63-28-30-67(40-63)52-24-26-55-56-27-25-53(68-31-29-64(41-68)49-18-10-45(2)11-19-49)37-58(56)71(57(55)36-52)54-38-59(69-34-32-65(42-69)50-20-12-46(3)13-21-50)61(62(5,6)7)60(39-54)70-35-33-66(43-70)51-22-14-47(4)15-23-51/h8-39H,40-43H2,1-7H3.
What are the key properties of 9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole?
9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole has a molecular weight of 932.23 g/mol, XLogP of 14.34, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-tert-butyl-3,5-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]phenyl]-2,7-bis[3-(4-methylphenyl)-2H-imidazol-1-yl]carbazole is sourced from PubChem (CID 158021490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).