9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole

C45H42N2 — CID 144659762

IUPAC9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole
SMILESCC(C)[C@@H](c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc([C@](C)(C(C)C)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C45H42N2/c1-30(2)44(33-24-28-35(29-25-33)46-40-18-10-6-14-36(40)37-15-7-11-19-41(37)46)32-22-26-34(27-23-32)45(5,31(3)4)47-42-20-12-8-16-38(42)39-17-9-13-21-43(39)47/h6-31,44H,1-5H3/t44-,45+/m1/s1
InChIKeyLRCIJCCCPJEDBU-UVTBUIGASA-N
MW610.85 g/mol
LogP12.10
Rot. Bonds7

About 9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole

9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole (PubChem CID 144659762) has the molecular formula C45H42N2 and a molecular weight of 610.85 g/mol. Its IUPAC name is 9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole
PubChem CID144659762
Molecular FormulaC45H42N2
Molecular Weight610.85 g/mol
Exact Mass610.33
IUPAC Name9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole
SMILESCC(C)[C@@H](c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc([C@](C)(C(C)C)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C45H42N2/c1-30(2)44(33-24-28-35(29-25-33)46-40-18-10-6-14-36(40)37-15-7-11-19-41(37)46)32-22-26-34(27-23-32)45(5,31(3)4)47-42-20-12-8-16-38(42)39-17-9-13-21-43(39)47/h6-31,44H,1-5H3/t44-,45+/m1/s1
InChIKeyLRCIJCCCPJEDBU-UVTBUIGASA-N
XLogP12.10
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.85
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole
CID 170191749
4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline
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9-[4-[2-(4-tert-butylphenyl)ethynyl]phenyl]carbazole
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2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole
CID 134419811
9-(4-tritylphenyl)carbazole
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CID 59399314
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine
CID 166947089
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole
CID 71232684
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
9-(4-bromophenyl)-2-tert-butylcarbazole
CID 142745661

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole?
The IUPAC name of 9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole (CID 144659762) is 9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole is CC(C)[C@@H](c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc([C@](C)(C(C)C)n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole?
The InChIKey is LRCIJCCCPJEDBU-UVTBUIGASA-N. The full InChI is InChI=1S/C45H42N2/c1-30(2)44(33-24-28-35(29-25-33)46-40-18-10-6-14-36(40)37-15-7-11-19-41(37)46)32-22-26-34(27-23-32)45(5,31(3)4)47-42-20-12-8-16-38(42)39-17-9-13-21-43(39)47/h6-31,44H,1-5H3/t44-,45+/m1/s1.
What are the key properties of 9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole?
9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole has a molecular weight of 610.85 g/mol, XLogP of 12.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole is sourced from PubChem (CID 144659762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).