3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole

C34H30N2 — CID 118369062

IUPAC3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
SMILESCC(C)Cc1ccccc1N1c2ccccc2C2C=C(c3ccc4[nH]c5ccccc5c4c3)C=CC21
InChIInChI=1S/C34H30N2/c1-22(2)19-25-9-3-7-13-32(25)36-33-14-8-5-11-27(33)29-21-24(16-18-34(29)36)23-15-17-31-28(20-23)26-10-4-6-12-30(26)35-31/h3-18,20-22,29,34-35H,19H2,1-2H3
InChIKeyZTQOZVLLSGVDDG-UHFFFAOYSA-N
MW466.63 g/mol
LogP8.78
Rot. Bonds4

About 3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole

3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole (PubChem CID 118369062) has the molecular formula C34H30N2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole.

Molecular Properties

Compound Name3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
PubChem CID118369062
Molecular FormulaC34H30N2
Molecular Weight466.63 g/mol
Exact Mass466.24
IUPAC Name3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
SMILESCC(C)Cc1ccccc1N1c2ccccc2C2C=C(c3ccc4[nH]c5ccccc5c4c3)C=CC21
InChIInChI=1S/C34H30N2/c1-22(2)19-25-9-3-7-13-32(25)36-33-14-8-5-11-27(33)29-21-24(16-18-34(29)36)23-15-17-31-28(20-23)26-10-4-6-12-30(26)35-31/h3-18,20-22,29,34-35H,19H2,1-2H3
InChIKeyZTQOZVLLSGVDDG-UHFFFAOYSA-N
XLogP8.78
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 58.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
CID 118369059
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole
CID 118369096
3,6-bis[6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
CID 59818479
3-[4-(2-methylpropyl)phenyl]-9H-carbazole
CID 66615207
9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
3-[4-bromo-2-(2-methylpropyl)phenyl]-9H-carbazole
CID 130238893
3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole
CID 66799933
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
5,9-diphenyl-3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
CID 174252041
3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole
CID 158808657
3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 149382960
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9-[3-(4-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 139438644

Frequently Asked Questions

What is the IUPAC name of 3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole?
The IUPAC name of 3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole (CID 118369062) is 3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole.
What is the SMILES notation for 3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole?
The canonical SMILES for 3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole is CC(C)Cc1ccccc1N1c2ccccc2C2C=C(c3ccc4[nH]c5ccccc5c4c3)C=CC21.
What is the InChIKey of 3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole?
The InChIKey is ZTQOZVLLSGVDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2/c1-22(2)19-25-9-3-7-13-32(25)36-33-14-8-5-11-27(33)29-21-24(16-18-34(29)36)23-15-17-31-28(20-23)26-10-4-6-12-30(26)35-31/h3-18,20-22,29,34-35H,19H2,1-2H3.
What are the key properties of 3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole?
3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole has a molecular weight of 466.63 g/mol, XLogP of 8.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole is sourced from PubChem (CID 118369062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).