1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine

C39H30N4 — CID 130343527

IUPAC1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine
SMILESC/C=C\c1c(N)c2ccccc2n1-c1cccc(-c2cc(-c3cccc(-c4ccccc4)c3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C39H30N4/c1-2-12-38-39(40)33-19-6-7-21-37(33)43(38)32-18-11-16-29(24-32)31-25-35(42-36(26-31)34-20-8-9-22-41-34)30-17-10-15-28(23-30)27-13-4-3-5-14-27/h2-26H,40H2,1H3/b12-2-
InChIKeyWYGCCJNMKVLKKL-OIXVIMQBSA-N
MW554.70 g/mol
LogP9.70
Rot. Bonds6

About 1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine

1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine (PubChem CID 130343527) has the molecular formula C39H30N4 and a molecular weight of 554.70 g/mol. Its IUPAC name is 1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine.

Molecular Properties

Compound Name1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine
PubChem CID130343527
Molecular FormulaC39H30N4
Molecular Weight554.70 g/mol
Exact Mass554.25
IUPAC Name1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine
SMILESC/C=C\c1c(N)c2ccccc2n1-c1cccc(-c2cc(-c3cccc(-c4ccccc4)c3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C39H30N4/c1-2-12-38-39(40)33-19-6-7-21-37(33)43(38)32-18-11-16-29(24-32)31-25-35(42-36(26-31)34-20-8-9-22-41-34)30-17-10-15-28(23-30)27-13-4-3-5-14-27/h2-26H,40H2,1H3/b12-2-
InChIKeyWYGCCJNMKVLKKL-OIXVIMQBSA-N
XLogP9.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.70
LogP ≤ 59.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine with MolForge

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Related Compounds

2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122
(Z)-2-[3-methyl-1-[3-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]indol-2-yl]ethenamine
CID 145477230
5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59326106
9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289394
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395
2,4-bis(4-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;4-(3,5-diphenylphenyl)-2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;9-[3-[2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidin-4-yl]phenyl]carbazole
CID 165110893
7-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 159163877
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(3-phenyl-5-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 161276127
9-[3-[3-[6-[3-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;iridium;2-(4-methylbenzene-6-id-1-yl)pyridine
CID 161394492
9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 59325997
1-[3-[3-[2-chloro-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indole
CID 145369569
2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine
CID 144837100

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine?
The IUPAC name of 1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine (CID 130343527) is 1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine.
What is the SMILES notation for 1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine?
The canonical SMILES for 1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine is C/C=C\c1c(N)c2ccccc2n1-c1cccc(-c2cc(-c3cccc(-c4ccccc4)c3)nc(-c3ccccn3)c2)c1.
What is the InChIKey of 1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine?
The InChIKey is WYGCCJNMKVLKKL-OIXVIMQBSA-N. The full InChI is InChI=1S/C39H30N4/c1-2-12-38-39(40)33-19-6-7-21-37(33)43(38)32-18-11-16-29(24-32)31-25-35(42-36(26-31)34-20-8-9-22-41-34)30-17-10-15-28(23-30)27-13-4-3-5-14-27/h2-26H,40H2,1H3/b12-2-.
What are the key properties of 1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine?
1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine has a molecular weight of 554.70 g/mol, XLogP of 9.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine is sourced from PubChem (CID 130343527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).