2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole

C40H30N2 — CID 59119015

IUPAC2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole
SMILESCc1c(-c2cccc3c(-c4ccccc4)c(-c4ccccc4)n(C)c23)c2cc3ccccc3cc2n1-c1ccccc1
InChIInChI=1S/C40H30N2/c1-27-37(35-25-30-19-12-13-20-31(30)26-36(35)42(27)32-21-10-5-11-22-32)33-23-14-24-34-38(28-15-6-3-7-16-28)39(41(2)40(33)34)29-17-8-4-9-18-29/h3-26H,1-2H3
InChIKeyCEUJHAMVGHUZHW-UHFFFAOYSA-N
MW538.69 g/mol
LogP10.58
Rot. Bonds4

About 2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole

2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole (PubChem CID 59119015) has the molecular formula C40H30N2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole.

Molecular Properties

Compound Name2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole
PubChem CID59119015
Molecular FormulaC40H30N2
Molecular Weight538.69 g/mol
Exact Mass538.24
IUPAC Name2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole
SMILESCc1c(-c2cccc3c(-c4ccccc4)c(-c4ccccc4)n(C)c23)c2cc3ccccc3cc2n1-c1ccccc1
InChIInChI=1S/C40H30N2/c1-27-37(35-25-30-19-12-13-20-31(30)26-36(35)42(27)32-21-10-5-11-22-32)33-23-14-24-34-38(28-15-6-3-7-16-28)39(41(2)40(33)34)29-17-8-4-9-18-29/h3-26H,1-2H3
InChIKeyCEUJHAMVGHUZHW-UHFFFAOYSA-N
XLogP10.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3-triphenylbenzo[f]indole
CID 102138150
5,6-dimethyl-1,2,3-triphenylindole
CID 102138148
2,6-dinaphthalen-2-yl-1,3,5,7-tetraphenylpyrrolo[2,3-f]indole;3-[3-(1,2-diphenylindol-3-yl)phenyl]-1,2-diphenylindole;1-methyl-2-[4-[4-(1-methyl-3-phenylpyrrolo[3,2-g]quinolin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-g]quinoline;3-naphthalen-1-yl-2-[4-(3-naphthalen-1-yl-1-phenylindol-2-yl)phenyl]-1-phenylindole
CID 158896843
2,6,7,8,12,16,17,18-octakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131848
10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 146368949
2,6-dinaphthalen-2-yl-1,3,5,7-tetraphenylpyrrolo[2,3-f]indole;N-[4-(2,3-diphenylindol-1-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;1-methyl-2-[4-[4-(1-methyl-3-phenylpyrrolo[3,2-g]quinolin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-g]quinoline;N-[4-(1-methyl-3-phenylindol-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;3-naphthalen-1-yl-2-[4-(3-naphthalen-1-yl-1-phenylindol-2-yl)phenyl]-1-phenylindole
CID 159921632
9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole
CID 118317505
1-(4-methoxyphenyl)-2-methyl-3-phenylindole
CID 102459165
16-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 154952773
12-phenyl-16-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 147944550
N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 58161593
N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline
CID 126631057

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole?
The IUPAC name of 2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole (CID 59119015) is 2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole.
What is the SMILES notation for 2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole?
The canonical SMILES for 2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole is Cc1c(-c2cccc3c(-c4ccccc4)c(-c4ccccc4)n(C)c23)c2cc3ccccc3cc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole?
The InChIKey is CEUJHAMVGHUZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2/c1-27-37(35-25-30-19-12-13-20-31(30)26-36(35)42(27)32-21-10-5-11-22-32)33-23-14-24-34-38(28-15-6-3-7-16-28)39(41(2)40(33)34)29-17-8-4-9-18-29/h3-26H,1-2H3.
What are the key properties of 2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole?
2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole has a molecular weight of 538.69 g/mol, XLogP of 10.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole is sourced from PubChem (CID 59119015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).