2-phenyl-3-(3-propylphenyl)benzo[e]indole

C27H23N — CID 70660628

IUPAC2-phenyl-3-(3-propylphenyl)benzo[e]indole
SMILESCCCc1cccc(-n2c(-c3ccccc3)cc3c4ccccc4ccc32)c1
InChIInChI=1S/C27H23N/c1-2-9-20-10-8-14-23(18-20)28-26-17-16-21-11-6-7-15-24(21)25(26)19-27(28)22-12-4-3-5-13-22/h3-8,10-19H,2,9H2,1H3
InChIKeyZYNXROCMZOAYSK-UHFFFAOYSA-N
MW361.49 g/mol
LogP7.40
Rot. Bonds4

About 2-phenyl-3-(3-propylphenyl)benzo[e]indole

2-phenyl-3-(3-propylphenyl)benzo[e]indole (PubChem CID 70660628) has the molecular formula C27H23N and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-phenyl-3-(3-propylphenyl)benzo[e]indole.

Molecular Properties

Compound Name2-phenyl-3-(3-propylphenyl)benzo[e]indole
PubChem CID70660628
Molecular FormulaC27H23N
Molecular Weight361.49 g/mol
Exact Mass361.18
IUPAC Name2-phenyl-3-(3-propylphenyl)benzo[e]indole
SMILESCCCc1cccc(-n2c(-c3ccccc3)cc3c4ccccc4ccc32)c1
InChIInChI=1S/C27H23N/c1-2-9-20-10-8-14-23(18-20)28-26-17-16-21-11-6-7-15-24(21)25(26)19-27(28)22-12-4-3-5-13-22/h3-8,10-19H,2,9H2,1H3
InChIKeyZYNXROCMZOAYSK-UHFFFAOYSA-N
XLogP7.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 157218905
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162
8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole
CID 146360993
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid
CID 59214501
3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306773
11-phenanthren-2-yl-5-(4-phenylphenyl)indolo[3,2-b]carbazole;5-phenyl-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole;5-phenyl-11-triphenylen-2-ylindolo[3,2-b]carbazole
CID 159578220
10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 118315588
9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole
CID 59844968

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(3-propylphenyl)benzo[e]indole?
The IUPAC name of 2-phenyl-3-(3-propylphenyl)benzo[e]indole (CID 70660628) is 2-phenyl-3-(3-propylphenyl)benzo[e]indole.
What is the SMILES notation for 2-phenyl-3-(3-propylphenyl)benzo[e]indole?
The canonical SMILES for 2-phenyl-3-(3-propylphenyl)benzo[e]indole is CCCc1cccc(-n2c(-c3ccccc3)cc3c4ccccc4ccc32)c1.
What is the InChIKey of 2-phenyl-3-(3-propylphenyl)benzo[e]indole?
The InChIKey is ZYNXROCMZOAYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N/c1-2-9-20-10-8-14-23(18-20)28-26-17-16-21-11-6-7-15-24(21)25(26)19-27(28)22-12-4-3-5-13-22/h3-8,10-19H,2,9H2,1H3.
What are the key properties of 2-phenyl-3-(3-propylphenyl)benzo[e]indole?
2-phenyl-3-(3-propylphenyl)benzo[e]indole has a molecular weight of 361.49 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(3-propylphenyl)benzo[e]indole is sourced from PubChem (CID 70660628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).