N,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline

C33H39N2P — CID 102470609

IUPACN,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline
SMILESCCCCN(CCCC)c1ccc(-c2c3c(c(-c4ccccn4)p2-c2ccccc2)CCCC3)cc1
InChIInChI=1S/C33H39N2P/c1-3-5-24-35(25-6-4-2)27-21-19-26(20-22-27)32-29-16-10-11-17-30(29)33(31-18-12-13-23-34-31)36(32)28-14-8-7-9-15-28/h7-9,12-15,18-23H,3-6,10-11,16-17,24-25H2,1-2H3
InChIKeyPCZNRQVFJPAADQ-UHFFFAOYSA-N
MW494.66 g/mol
LogP9.68
Rot. Bonds10

About N,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline

N,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline (PubChem CID 102470609) has the molecular formula C33H39N2P and a molecular weight of 494.66 g/mol. Its IUPAC name is N,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline.

Molecular Properties

Compound NameN,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline
PubChem CID102470609
Molecular FormulaC33H39N2P
Molecular Weight494.66 g/mol
Exact Mass494.29
IUPAC NameN,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline
SMILESCCCCN(CCCC)c1ccc(-c2c3c(c(-c4ccccn4)p2-c2ccccc2)CCCC3)cc1
InChIInChI=1S/C33H39N2P/c1-3-5-24-35(25-6-4-2)27-21-19-26(20-22-27)32-29-16-10-11-17-30(29)33(31-18-12-13-23-34-31)36(32)28-14-8-7-9-15-28/h7-9,12-15,18-23H,3-6,10-11,16-17,24-25H2,1-2H3
InChIKeyPCZNRQVFJPAADQ-UHFFFAOYSA-N
XLogP9.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline with MolForge

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Related Compounds

octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate
CID 139135646
N,N-dibutyl-4-[(1E,3E)-4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]buta-1,3-dienyl]aniline
CID 101378722
4-[5-(2,6-dipyridin-2-yl-4-pyridinyl)thiophen-2-yl]-N,N-dihexylaniline
CID 132522913
N-butyl-N-propylpyridin-2-amine
CID 138339518
N-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline
CID 102285926
4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine
CID 175630107
1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine
CID 15911741
[4-(dibutylamino)phenyl]-triphenylphosphanium
CID 102170052
N,N-dibutyl-4-phenoxyaniline
CID 70287986
N,N-dibutyl-4-fluoroaniline
CID 15399711
N,N-dibutyl-4-[[4-(dibutylamino)phenyl]methyl]aniline
CID 67427433
N,N-di(nonyl)aniline
CID 22637953

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline?
The IUPAC name of N,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline (CID 102470609) is N,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline.
What is the SMILES notation for N,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline?
The canonical SMILES for N,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline is CCCCN(CCCC)c1ccc(-c2c3c(c(-c4ccccn4)p2-c2ccccc2)CCCC3)cc1.
What is the InChIKey of N,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline?
The InChIKey is PCZNRQVFJPAADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N2P/c1-3-5-24-35(25-6-4-2)27-21-19-26(20-22-27)32-29-16-10-11-17-30(29)33(31-18-12-13-23-34-31)36(32)28-14-8-7-9-15-28/h7-9,12-15,18-23H,3-6,10-11,16-17,24-25H2,1-2H3.
What are the key properties of N,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline?
N,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline has a molecular weight of 494.66 g/mol, XLogP of 9.68, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)aniline is sourced from PubChem (CID 102470609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).