9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole

C34H29N — CID 176781617

IUPAC9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole
SMILESCC(C)c1c(-c2ccccc2)cccc1-c1ccccc1Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C34H29N/c1-24(2)34-28(25-13-4-3-5-14-25)19-12-20-31(34)27-16-7-6-15-26(27)23-35-32-21-10-8-17-29(32)30-18-9-11-22-33(30)35/h3-22,24H,23H2,1-2H3
InChIKeyVQTJVDVWPVJENX-UHFFFAOYSA-N
MW451.61 g/mol
LogP9.30
Rot. Bonds5

About 9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole

9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole (PubChem CID 176781617) has the molecular formula C34H29N and a molecular weight of 451.61 g/mol. Its IUPAC name is 9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole.

Molecular Properties

Compound Name9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole
PubChem CID176781617
Molecular FormulaC34H29N
Molecular Weight451.61 g/mol
Exact Mass451.23
IUPAC Name9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole
SMILESCC(C)c1c(-c2ccccc2)cccc1-c1ccccc1Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C34H29N/c1-24(2)34-28(25-13-4-3-5-14-25)19-12-20-31(34)27-16-7-6-15-26(27)23-35-32-21-10-8-17-29(32)30-18-9-11-22-33(30)35/h3-22,24H,23H2,1-2H3
InChIKeyVQTJVDVWPVJENX-UHFFFAOYSA-N
XLogP9.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole
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methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate
CID 22738163
2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one
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1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene
CID 139700110
2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole
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9-(9H-fluoren-9-ylmethyl)carbazole;bis(1-methyl-2-phenylbenzene)
CID 157483203
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
5-methyl-1,3-diphenyl-2-propan-2-ylbenzene
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7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 174418413
2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid
CID 172738667

Frequently Asked Questions

What is the IUPAC name of 9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole?
The IUPAC name of 9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole (CID 176781617) is 9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole.
What is the SMILES notation for 9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole?
The canonical SMILES for 9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole is CC(C)c1c(-c2ccccc2)cccc1-c1ccccc1Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole?
The InChIKey is VQTJVDVWPVJENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N/c1-24(2)34-28(25-13-4-3-5-14-25)19-12-20-31(34)27-16-7-6-15-26(27)23-35-32-21-10-8-17-29(32)30-18-9-11-22-33(30)35/h3-22,24H,23H2,1-2H3.
What are the key properties of 9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole?
9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole has a molecular weight of 451.61 g/mol, XLogP of 9.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole is sourced from PubChem (CID 176781617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).