9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole

C43H38N2O — CID 163914779

IUPAC9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole
SMILESCOC(Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1)CC(C)C
InChIInChI=1S/C43H38N2O/c1-29(2)24-35(46-3)25-30-20-22-31(23-21-30)32-26-33(44-40-16-8-4-12-36(40)37-13-5-9-17-41(37)44)28-34(27-32)45-42-18-10-6-14-38(42)39-15-7-11-19-43(39)45/h4-23,26-29,35H,24-25H2,1-3H3
InChIKeyQVHAUDMIRJBRQY-UHFFFAOYSA-N
MW598.79 g/mol
LogP11.15
Rot. Bonds8

About 9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole (PubChem CID 163914779) has the molecular formula C43H38N2O and a molecular weight of 598.79 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole
PubChem CID163914779
Molecular FormulaC43H38N2O
Molecular Weight598.79 g/mol
Exact Mass598.30
IUPAC Name9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole
SMILESCOC(Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1)CC(C)C
InChIInChI=1S/C43H38N2O/c1-29(2)24-35(46-3)25-30-20-22-31(23-21-30)32-26-33(44-40-16-8-4-12-36(40)37-13-5-9-17-41(37)44)28-34(27-32)45-42-18-10-6-14-38(42)39-15-7-11-19-43(39)45/h4-23,26-29,35H,24-25H2,1-3H3
InChIKeyQVHAUDMIRJBRQY-UHFFFAOYSA-N
XLogP11.15
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.79
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-[4-(2-tert-butyl-4-methylpentyl)phenyl]phenyl]carbazole
CID 163545427
9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole
CID 148851607
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole
CID 59413518
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole
CID 59358185
9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 161148569
[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol
CID 58625620

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole (CID 163914779) is 9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole is COC(Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1)CC(C)C.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole?
The InChIKey is QVHAUDMIRJBRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38N2O/c1-29(2)24-35(46-3)25-30-20-22-31(23-21-30)32-26-33(44-40-16-8-4-12-36(40)37-13-5-9-17-41(37)44)28-34(27-32)45-42-18-10-6-14-38(42)39-15-7-11-19-43(39)45/h4-23,26-29,35H,24-25H2,1-3H3.
What are the key properties of 9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole has a molecular weight of 598.79 g/mol, XLogP of 11.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 163914779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).