3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole

C48H35N3 — CID 170372835

IUPAC3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole
SMILESC1=C(c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)CCCC1
InChIInChI=1S/C48H35N3/c1-2-14-32(15-3-1)35-16-4-9-21-42(35)51-46-25-13-8-20-39(46)41-31-34(27-29-48(41)51)50-45-24-12-7-19-38(45)40-30-33(26-28-47(40)50)49-43-22-10-5-17-36(43)37-18-6-11-23-44(37)49/h4-14,16-31H,1-3,15H2
InChIKeyZGRFOOLFGHHPKX-UHFFFAOYSA-N
MW653.83 g/mol
LogP12.94
Rot. Bonds4

About 3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole

3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole (PubChem CID 170372835) has the molecular formula C48H35N3 and a molecular weight of 653.83 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole
PubChem CID170372835
Molecular FormulaC48H35N3
Molecular Weight653.83 g/mol
Exact Mass653.28
IUPAC Name3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole
SMILESC1=C(c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)CCCC1
InChIInChI=1S/C48H35N3/c1-2-14-32(15-3-1)35-16-4-9-21-42(35)51-46-25-13-8-20-39(46)41-31-34(27-29-48(41)51)50-45-24-12-7-19-38(45)40-30-33(26-28-47(40)50)49-43-22-10-5-17-36(43)37-18-6-11-23-44(37)49/h4-14,16-31H,1-3,15H2
InChIKeyZGRFOOLFGHHPKX-UHFFFAOYSA-N
XLogP12.94
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
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3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole
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3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
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3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole
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3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 170060135
3-carbazol-9-yl-9-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 162702859
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole (CID 170372835) is 3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole is C1=C(c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)CCCC1.
What is the InChIKey of 3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is ZGRFOOLFGHHPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3/c1-2-14-32(15-3-1)35-16-4-9-21-42(35)51-46-25-13-8-20-39(46)41-31-34(27-29-48(41)51)50-45-24-12-7-19-38(45)40-30-33(26-28-47(40)50)49-43-22-10-5-17-36(43)37-18-6-11-23-44(37)49/h4-14,16-31H,1-3,15H2.
What are the key properties of 3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole?
3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 653.83 g/mol, XLogP of 12.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 170372835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).