1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole

C24H21N — CID 121437743

IUPAC1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESc1ccc(C2CCC(c3ccccc3)c3c2[nH]c2ccccc32)cc1
InChIInChI=1S/C24H21N/c1-3-9-17(10-4-1)19-15-16-20(18-11-5-2-6-12-18)24-23(19)21-13-7-8-14-22(21)25-24/h1-14,19-20,25H,15-16H2
InChIKeyNJNCTRAJEDSNPN-UHFFFAOYSA-N
MW323.44 g/mol
LogP6.23
Rot. Bonds2

About 1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole

1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 121437743) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is 1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID121437743
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESc1ccc(C2CCC(c3ccccc3)c3c2[nH]c2ccccc32)cc1
InChIInChI=1S/C24H21N/c1-3-9-17(10-4-1)19-15-16-20(18-11-5-2-6-12-18)24-23(19)21-13-7-8-14-22(21)25-24/h1-14,19-20,25H,15-16H2
InChIKeyNJNCTRAJEDSNPN-UHFFFAOYSA-N
XLogP6.23
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenyl-2,3,4,9-tetrahydro-1H-carbazole
CID 20568385
(1R,11R)-11-phenyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
CID 23244045
(6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole
CID 155805566
(1S,2S,12R,13S,14R)-12-phenyl-4-azapentacyclo[12.2.1.02,13.03,11.05,10]heptadeca-3(11),5,7,9,15-pentaene
CID 102465591
4-(2-cyclopropyl-1H-indol-3-yl)cyclohexan-1-ol
CID 69112846
dimethyl 1-phenacyl-4-phenyl-1,3,4,9-tetrahydrocarbazole-2,2-dicarboxylate
CID 122376433
9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
CID 59837844
9H-carbazole
CID 66668984
(4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole
CID 164683018
(1S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium
CID 6936027
(1R,4S)-1-[3-ethoxy-4-(2-methylpropoxy)phenyl]-4-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 2518561
(2S,12S)-12-(4-fluorophenyl)-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14,16,18-heptaen-9-one
CID 7094447

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole (CID 121437743) is 1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole is c1ccc(C2CCC(c3ccccc3)c3c2[nH]c2ccccc32)cc1.
What is the InChIKey of 1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is NJNCTRAJEDSNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N/c1-3-9-17(10-4-1)19-15-16-20(18-11-5-2-6-12-18)24-23(19)21-13-7-8-14-22(21)25-24/h1-14,19-20,25H,15-16H2.
What are the key properties of 1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole?
1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 323.44 g/mol, XLogP of 6.23, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 121437743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).