N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine

C41H30N2O — CID 166861320

IUPACN-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine
SMILESC1=Cc2c(oc3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cccc23)CN1
InChIInChI=1S/C41H30N2O/c1-4-11-29(12-5-1)30-19-21-33(22-20-30)43(39-18-10-17-37-36-25-26-42-28-40(36)44-41(37)39)34-23-24-35(31-13-6-2-7-14-31)38(27-34)32-15-8-3-9-16-32/h1-27,42H,28H2
InChIKeyXNPLQMCCZIJMBN-UHFFFAOYSA-N
MW566.70 g/mol
LogP10.98
Rot. Bonds6

About N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine

N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine (PubChem CID 166861320) has the molecular formula C41H30N2O and a molecular weight of 566.70 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine
PubChem CID166861320
Molecular FormulaC41H30N2O
Molecular Weight566.70 g/mol
Exact Mass566.24
IUPAC NameN-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine
SMILESC1=Cc2c(oc3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cccc23)CN1
InChIInChI=1S/C41H30N2O/c1-4-11-29(12-5-1)30-19-21-33(22-20-30)43(39-18-10-17-37-36-25-26-42-28-40(36)44-41(37)39)34-23-24-35(31-13-6-2-7-14-31)38(27-34)32-15-8-3-9-16-32/h1-27,42H,28H2
InChIKeyXNPLQMCCZIJMBN-UHFFFAOYSA-N
XLogP10.98
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 510.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine
CID 166862188
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine
CID 166861988
1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine
CID 155010301
N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
CID 166860643
N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
CID 166861643
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine
CID 177080749
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139297889
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324
N-(3,4-diphenylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]naphthalen-1-amine
CID 164832008
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 164832132
N-[4-[4-(N-(3,4-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 159775461
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine
CID 167127715

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine (CID 166861320) is N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine is C1=Cc2c(oc3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cccc23)CN1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine?
The InChIKey is XNPLQMCCZIJMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2O/c1-4-11-29(12-5-1)30-19-21-33(22-20-30)43(39-18-10-17-37-36-25-26-42-28-40(36)44-41(37)39)34-23-24-35(31-13-6-2-7-14-31)38(27-34)32-15-8-3-9-16-32/h1-27,42H,28H2.
What are the key properties of N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine?
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine has a molecular weight of 566.70 g/mol, XLogP of 10.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine is sourced from PubChem (CID 166861320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).