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

C35H26N2O — CID 166861988

IUPACN-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine
SMILESC1=Cc2c(oc3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc23)CN1
InChIInChI=1S/C35H26N2O/c1-3-7-25(8-4-1)26-11-13-27(14-12-26)28-15-17-30(18-16-28)37(29-9-5-2-6-10-29)31-19-20-34-33(23-31)32-21-22-36-24-35(32)38-34/h1-23,36H,24H2
InChIKeyOYIFKRRZVRUWHH-UHFFFAOYSA-N
MW490.61 g/mol
LogP9.31
Rot. Bonds5

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

N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine (PubChem CID 166861988) has the molecular formula C35H26N2O and a molecular weight of 490.61 g/mol. Its IUPAC name is N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine
PubChem CID166861988
Molecular FormulaC35H26N2O
Molecular Weight490.61 g/mol
Exact Mass490.20
IUPAC NameN-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine
SMILESC1=Cc2c(oc3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc23)CN1
InChIInChI=1S/C35H26N2O/c1-3-7-25(8-4-1)26-11-13-27(14-12-26)28-15-17-30(18-16-28)37(29-9-5-2-6-10-29)31-19-20-34-33(23-31)32-21-22-36-24-35(32)38-34/h1-23,36H,24H2
InChIKeyOYIFKRRZVRUWHH-UHFFFAOYSA-N
XLogP9.31
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 59.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine
CID 166861522
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-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine?
The IUPAC name of N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine (CID 166861988) is N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine.
What is the SMILES notation for N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine?
The canonical SMILES for N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine is C1=Cc2c(oc3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc23)CN1.
What is the InChIKey of N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine?
The InChIKey is OYIFKRRZVRUWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2O/c1-3-7-25(8-4-1)26-11-13-27(14-12-26)28-15-17-30(18-16-28)37(29-9-5-2-6-10-29)31-19-20-34-33(23-31)32-21-22-36-24-35(32)38-34/h1-23,36H,24H2.
What are the key properties of N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine?
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine has a molecular weight of 490.61 g/mol, XLogP of 9.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine is sourced from PubChem (CID 166861988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).