2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine

C39H33N3 — CID 143516134

IUPAC2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine
SMILESC/C(=C\c1c(C)n(-c2ccccc2)c2ccccc12)N(c1ccccc1)c1ccc2c(c1)cc(C)n2-c1ccccc1
InChIInChI=1S/C39H33N3/c1-28-25-31-27-35(23-24-38(31)41(28)33-17-9-5-10-18-33)40(32-15-7-4-8-16-32)29(2)26-37-30(3)42(34-19-11-6-12-20-34)39-22-14-13-21-36(37)39/h4-27H,1-3H3/b29-26+
InChIKeyBFPRSXVMFKZLJW-PBBVDAKRSA-N
MW543.71 g/mol
LogP10.39
Rot. Bonds6

About 2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine

2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine (PubChem CID 143516134) has the molecular formula C39H33N3 and a molecular weight of 543.71 g/mol. Its IUPAC name is 2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine
PubChem CID143516134
Molecular FormulaC39H33N3
Molecular Weight543.71 g/mol
Exact Mass543.27
IUPAC Name2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine
SMILESC/C(=C\c1c(C)n(-c2ccccc2)c2ccccc12)N(c1ccccc1)c1ccc2c(c1)cc(C)n2-c1ccccc1
InChIInChI=1S/C39H33N3/c1-28-25-31-27-35(23-24-38(31)41(28)33-17-9-5-10-18-33)40(32-15-7-4-8-16-32)29(2)26-37-30(3)42(34-19-11-6-12-20-34)39-22-14-13-21-36(37)39/h4-27H,1-3H3/b29-26+
InChIKeyBFPRSXVMFKZLJW-PBBVDAKRSA-N
XLogP10.39
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.71
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine?
The IUPAC name of 2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine (CID 143516134) is 2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine.
What is the SMILES notation for 2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine?
The canonical SMILES for 2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine is C/C(=C\c1c(C)n(-c2ccccc2)c2ccccc12)N(c1ccccc1)c1ccc2c(c1)cc(C)n2-c1ccccc1.
What is the InChIKey of 2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine?
The InChIKey is BFPRSXVMFKZLJW-PBBVDAKRSA-N. The full InChI is InChI=1S/C39H33N3/c1-28-25-31-27-35(23-24-38(31)41(28)33-17-9-5-10-18-33)40(32-15-7-4-8-16-32)29(2)26-37-30(3)42(34-19-11-6-12-20-34)39-22-14-13-21-36(37)39/h4-27H,1-3H3/b29-26+.
What are the key properties of 2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine?
2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine has a molecular weight of 543.71 g/mol, XLogP of 10.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine is sourced from PubChem (CID 143516134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).