N-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine

C35H33N3 — CID 153499217

IUPACN-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine
SMILESCCCC1(CCC)c2ccc(-c3cccc(-c4ccccn4)c3)nc2-c2c(Nc3ccccc3)cccc21
InChIInChI=1S/C35H33N3/c1-3-21-35(22-4-2)28-16-11-18-32(37-27-14-6-5-7-15-27)33(28)34-29(35)19-20-31(38-34)26-13-10-12-25(24-26)30-17-8-9-23-36-30/h5-20,23-24,37H,3-4,21-22H2,1-2H3
InChIKeyNTSCDHYVPIYEBI-UHFFFAOYSA-N
MW495.67 g/mol
LogP9.42
Rot. Bonds8

About N-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine

N-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine (PubChem CID 153499217) has the molecular formula C35H33N3 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine.

Molecular Properties

Compound NameN-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine
PubChem CID153499217
Molecular FormulaC35H33N3
Molecular Weight495.67 g/mol
Exact Mass495.27
IUPAC NameN-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine
SMILESCCCC1(CCC)c2ccc(-c3cccc(-c4ccccn4)c3)nc2-c2c(Nc3ccccc3)cccc21
InChIInChI=1S/C35H33N3/c1-3-21-35(22-4-2)28-16-11-18-32(37-27-14-6-5-7-15-27)33(28)34-29(35)19-20-31(38-34)26-13-10-12-25(24-26)30-17-8-9-23-36-30/h5-20,23-24,37H,3-4,21-22H2,1-2H3
InChIKeyNTSCDHYVPIYEBI-UHFFFAOYSA-N
XLogP9.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 59.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol
CID 136600902
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
2-phenyl-N-(3-pyridin-2-ylphenyl)aniline
CID 140908587
5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol
CID 153499099
2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol
CID 58058931
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine
CID 139253750
2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine
CID 153429623
2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine
CID 67471921
3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline
CID 170047096

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine?
The IUPAC name of N-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine (CID 153499217) is N-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine.
What is the SMILES notation for N-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine?
The canonical SMILES for N-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine is CCCC1(CCC)c2ccc(-c3cccc(-c4ccccn4)c3)nc2-c2c(Nc3ccccc3)cccc21.
What is the InChIKey of N-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine?
The InChIKey is NTSCDHYVPIYEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N3/c1-3-21-35(22-4-2)28-16-11-18-32(37-27-14-6-5-7-15-27)33(28)34-29(35)19-20-31(38-34)26-13-10-12-25(24-26)30-17-8-9-23-36-30/h5-20,23-24,37H,3-4,21-22H2,1-2H3.
What are the key properties of N-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine?
N-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine has a molecular weight of 495.67 g/mol, XLogP of 9.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine is sourced from PubChem (CID 153499217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).