3,3-dibenzyl-4,9-dihydrocarbazole

C26H23N — CID 174416262

IUPAC3,3-dibenzyl-4,9-dihydrocarbazole
SMILESC1=CC(Cc2ccccc2)(Cc2ccccc2)Cc2c1[nH]c1ccccc21
InChIInChI=1S/C26H23N/c1-3-9-20(10-4-1)17-26(18-21-11-5-2-6-12-21)16-15-25-23(19-26)22-13-7-8-14-24(22)27-25/h1-16,27H,17-19H2
InChIKeyQULJGOAZIMHTCR-UHFFFAOYSA-N
MW349.48 g/mol
LogP6.21
Rot. Bonds4

About 3,3-dibenzyl-4,9-dihydrocarbazole

3,3-dibenzyl-4,9-dihydrocarbazole (PubChem CID 174416262) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 3,3-dibenzyl-4,9-dihydrocarbazole.

Molecular Properties

Compound Name3,3-dibenzyl-4,9-dihydrocarbazole
PubChem CID174416262
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name3,3-dibenzyl-4,9-dihydrocarbazole
SMILESC1=CC(Cc2ccccc2)(Cc2ccccc2)Cc2c1[nH]c1ccccc21
InChIInChI=1S/C26H23N/c1-3-9-20(10-4-1)17-26(18-21-11-5-2-6-12-21)16-15-25-23(19-26)22-13-7-8-14-24(22)27-25/h1-16,27H,17-19H2
InChIKeyQULJGOAZIMHTCR-UHFFFAOYSA-N
XLogP6.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dibenzyl-1,9-dihydrocarbazole
CID 174262331
3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole
CID 174721399
2,5-dihydro-1H-pyrido[4,3-b]indole
CID 68923227
1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine]
CID 70155622
3-bromo-4,9-dihydro-3H-carbazole
CID 66807686
1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole
CID 175076817
3-benzyl-2-chloro-1H-indole
CID 12605517
2-(4-phenylbutyl)-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole;hydrochloride
CID 155549427
5,10-dihydroindeno[1,2-b]indole;ethane
CID 143208166
CID 131863122
CID 131863122
(3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
CID 71051189
9H-carbazole
CID 66668984

Frequently Asked Questions

What is the IUPAC name of 3,3-dibenzyl-4,9-dihydrocarbazole?
The IUPAC name of 3,3-dibenzyl-4,9-dihydrocarbazole (CID 174416262) is 3,3-dibenzyl-4,9-dihydrocarbazole.
What is the SMILES notation for 3,3-dibenzyl-4,9-dihydrocarbazole?
The canonical SMILES for 3,3-dibenzyl-4,9-dihydrocarbazole is C1=CC(Cc2ccccc2)(Cc2ccccc2)Cc2c1[nH]c1ccccc21.
What is the InChIKey of 3,3-dibenzyl-4,9-dihydrocarbazole?
The InChIKey is QULJGOAZIMHTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-3-9-20(10-4-1)17-26(18-21-11-5-2-6-12-21)16-15-25-23(19-26)22-13-7-8-14-24(22)27-25/h1-16,27H,17-19H2.
What are the key properties of 3,3-dibenzyl-4,9-dihydrocarbazole?
3,3-dibenzyl-4,9-dihydrocarbazole has a molecular weight of 349.48 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibenzyl-4,9-dihydrocarbazole is sourced from PubChem (CID 174416262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).