N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine

C29H22N2O — CID 166861522

IUPACN-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine
SMILESC1=Cc2c(oc3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc23)CN1
InChIInChI=1S/C29H22N2O/c1-3-7-21(8-4-1)22-11-13-24(14-12-22)31(23-9-5-2-6-10-23)25-15-16-28-27(19-25)26-17-18-30-20-29(26)32-28/h1-19,30H,20H2
InChIKeyRYAWSZSGQXBUGH-UHFFFAOYSA-N
MW414.51 g/mol
LogP7.64
Rot. Bonds4

About N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine

N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine (PubChem CID 166861522) has the molecular formula C29H22N2O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine
PubChem CID166861522
Molecular FormulaC29H22N2O
Molecular Weight414.51 g/mol
Exact Mass414.17
IUPAC NameN-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine
SMILESC1=Cc2c(oc3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc23)CN1
InChIInChI=1S/C29H22N2O/c1-3-7-21(8-4-1)22-11-13-24(14-12-22)31(23-9-5-2-6-10-23)25-15-16-28-27(19-25)26-17-18-30-20-29(26)32-28/h1-19,30H,20H2
InChIKeyRYAWSZSGQXBUGH-UHFFFAOYSA-N
XLogP7.64
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine
CID 166861988
N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
CID 166860643
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
CID 166860602
N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
CID 166861643
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine
CID 166861320
N,16-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050312
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
8-phenyl-N,N-bis(8-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
CID 59470035
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824
2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine
CID 135189607

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine (CID 166861522) is N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine is C1=Cc2c(oc3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc23)CN1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine?
The InChIKey is RYAWSZSGQXBUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O/c1-3-7-21(8-4-1)22-11-13-24(14-12-22)31(23-9-5-2-6-10-23)25-15-16-28-27(19-25)26-17-18-30-20-29(26)32-28/h1-19,30H,20H2.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine?
N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine has a molecular weight of 414.51 g/mol, XLogP of 7.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine is sourced from PubChem (CID 166861522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).