7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole

C27H26N2 — CID 101447638

IUPAC7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole
SMILESCCc1cccc2c(C(c3ccccc3)c3c[nH]c4c(CC)cccc34)c[nH]c12
InChIInChI=1S/C27H26N2/c1-3-18-12-8-14-21-23(16-28-26(18)21)25(20-10-6-5-7-11-20)24-17-29-27-19(4-2)13-9-15-22(24)27/h5-17,25,28-29H,3-4H2,1-2H3
InChIKeyAYJDBYAFQCAUAC-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.95
Rot. Bonds5

About 7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole

7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole (PubChem CID 101447638) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole.

Molecular Properties

Compound Name7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole
PubChem CID101447638
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole
SMILESCCc1cccc2c(C(c3ccccc3)c3c[nH]c4c(CC)cccc34)c[nH]c12
InChIInChI=1S/C27H26N2/c1-3-18-12-8-14-21-23(16-28-26(18)21)25(20-10-6-5-7-11-20)24-17-29-27-19(4-2)13-9-15-22(24)27/h5-17,25,28-29H,3-4H2,1-2H3
InChIKeyAYJDBYAFQCAUAC-UHFFFAOYSA-N
XLogP6.95
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

4-[bis(7-ethyl-1H-indol-3-yl)methyl]-N,N-diethylaniline
CID 22332437
N-[2-[bis(7-ethyl-1H-indol-3-yl)methyl]phenyl]methanesulfonamide
CID 42609985
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine
CID 76846668
(1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 96599431
2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol
CID 76846651
7-ethyl-3-(1H-indol-3-yl)-1H-indole
CID 46901494
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
CID 42802172
7-ethyl-3-methyl-1H-indole
CID 13271010
(3S)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123806
3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid
CID 42774239
(3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123805

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole?
The IUPAC name of 7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole (CID 101447638) is 7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole.
What is the SMILES notation for 7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole?
The canonical SMILES for 7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole is CCc1cccc2c(C(c3ccccc3)c3c[nH]c4c(CC)cccc34)c[nH]c12.
What is the InChIKey of 7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole?
The InChIKey is AYJDBYAFQCAUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-3-18-12-8-14-21-23(16-28-26(18)21)25(20-10-6-5-7-11-20)24-17-29-27-19(4-2)13-9-15-22(24)27/h5-17,25,28-29H,3-4H2,1-2H3.
What are the key properties of 7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole?
7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole has a molecular weight of 378.52 g/mol, XLogP of 6.95, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole is sourced from PubChem (CID 101447638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).