8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole

C39H30N2O — CID 139351946

IUPAC8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole
SMILESCC(c1ccccc1)c1c[nH]c2ccc3ccc(OC(c4ccccc4)c4c[nH]c5ccc6ccccc6c45)cc3c12
InChIInChI=1S/C39H30N2O/c1-25(26-10-4-2-5-11-26)33-23-40-36-21-18-28-16-19-30(22-32(28)38(33)36)42-39(29-13-6-3-7-14-29)34-24-41-35-20-17-27-12-8-9-15-31(27)37(34)35/h2-25,39-41H,1H3
InChIKeyUZQNXEQCBYQGGS-UHFFFAOYSA-N
MW542.68 g/mol
LogP10.28
Rot. Bonds6

About 8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole

8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole (PubChem CID 139351946) has the molecular formula C39H30N2O and a molecular weight of 542.68 g/mol. Its IUPAC name is 8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole.

Molecular Properties

Compound Name8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole
PubChem CID139351946
Molecular FormulaC39H30N2O
Molecular Weight542.68 g/mol
Exact Mass542.24
IUPAC Name8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole
SMILESCC(c1ccccc1)c1c[nH]c2ccc3ccc(OC(c4ccccc4)c4c[nH]c5ccc6ccccc6c45)cc3c12
InChIInChI=1S/C39H30N2O/c1-25(26-10-4-2-5-11-26)33-23-40-36-21-18-28-16-19-30(22-32(28)38(33)36)42-39(29-13-6-3-7-14-29)34-24-41-35-20-17-27-12-8-9-15-31(27)37(34)35/h2-25,39-41H,1H3
InChIKeyUZQNXEQCBYQGGS-UHFFFAOYSA-N
XLogP10.28
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.68
LogP ≤ 510.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole with MolForge

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Related Compounds

5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole
CID 90344559
3H-benzo[e]indol-1-ol
CID 69001321
3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
CID 177308406
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one
CID 126715490
4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine
CID 102368288
5-methoxy-3-[(1R)-2-nitro-1-phenylethyl]-1H-indole
CID 93117865
5-methoxy-3-[(1S)-2-nitro-1-phenylethyl]-1H-indole
CID 93117864
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
6-benzhydryloxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene
CID 136656733
1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78873695
1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine
CID 174363405
N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline
CID 57379324

Frequently Asked Questions

What is the IUPAC name of 8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole?
The IUPAC name of 8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole (CID 139351946) is 8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole.
What is the SMILES notation for 8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole?
The canonical SMILES for 8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole is CC(c1ccccc1)c1c[nH]c2ccc3ccc(OC(c4ccccc4)c4c[nH]c5ccc6ccccc6c45)cc3c12.
What is the InChIKey of 8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole?
The InChIKey is UZQNXEQCBYQGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N2O/c1-25(26-10-4-2-5-11-26)33-23-40-36-21-18-28-16-19-30(22-32(28)38(33)36)42-39(29-13-6-3-7-14-29)34-24-41-35-20-17-27-12-8-9-15-31(27)37(34)35/h2-25,39-41H,1H3.
What are the key properties of 8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole?
8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole has a molecular weight of 542.68 g/mol, XLogP of 10.28, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3H-benzo[e]indol-1-yl(phenyl)methoxy]-1-(1-phenylethyl)-3H-benzo[e]indole is sourced from PubChem (CID 139351946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).