2,3-diphenyl-1,2-dihydrobenzo[e]indole

C24H19N — CID 177307260

IUPAC2,3-diphenyl-1,2-dihydrobenzo[e]indole
SMILESc1ccc(C2Cc3c(ccc4ccccc34)N2c2ccccc2)cc1
InChIInChI=1S/C24H19N/c1-3-10-19(11-4-1)24-17-22-21-14-8-7-9-18(21)15-16-23(22)25(24)20-12-5-2-6-13-20/h1-16,24H,17H2
InChIKeyDQYSRCQTPVDQPG-UHFFFAOYSA-N
MW321.42 g/mol
LogP6.28
Rot. Bonds2

About 2,3-diphenyl-1,2-dihydrobenzo[e]indole

2,3-diphenyl-1,2-dihydrobenzo[e]indole (PubChem CID 177307260) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is 2,3-diphenyl-1,2-dihydrobenzo[e]indole.

Molecular Properties

Compound Name2,3-diphenyl-1,2-dihydrobenzo[e]indole
PubChem CID177307260
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC Name2,3-diphenyl-1,2-dihydrobenzo[e]indole
SMILESc1ccc(C2Cc3c(ccc4ccccc34)N2c2ccccc2)cc1
InChIInChI=1S/C24H19N/c1-3-10-19(11-4-1)24-17-22-21-14-8-7-9-18(21)15-16-23(22)25(24)20-12-5-2-6-13-20/h1-16,24H,17H2
InChIKeyDQYSRCQTPVDQPG-UHFFFAOYSA-N
XLogP6.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 102273655
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4-(4-bromophenyl)-1-phenylazetidin-2-one
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18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene
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CID 134924826
2,13-diphenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene
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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1,2-dihydrobenzo[e]indole?
The IUPAC name of 2,3-diphenyl-1,2-dihydrobenzo[e]indole (CID 177307260) is 2,3-diphenyl-1,2-dihydrobenzo[e]indole.
What is the SMILES notation for 2,3-diphenyl-1,2-dihydrobenzo[e]indole?
The canonical SMILES for 2,3-diphenyl-1,2-dihydrobenzo[e]indole is c1ccc(C2Cc3c(ccc4ccccc34)N2c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyl-1,2-dihydrobenzo[e]indole?
The InChIKey is DQYSRCQTPVDQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N/c1-3-10-19(11-4-1)24-17-22-21-14-8-7-9-18(21)15-16-23(22)25(24)20-12-5-2-6-13-20/h1-16,24H,17H2.
What are the key properties of 2,3-diphenyl-1,2-dihydrobenzo[e]indole?
2,3-diphenyl-1,2-dihydrobenzo[e]indole has a molecular weight of 321.42 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1,2-dihydrobenzo[e]indole is sourced from PubChem (CID 177307260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).