N-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline

C45H32N2O — CID 166861977

IUPACN-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
SMILESC1=C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2c(oc3ccccc23)CN1
InChIInChI=1S/C45H32N2O/c1-2-8-31(9-3-1)33-16-22-38(23-17-33)47(39-24-18-34(19-25-39)37-15-14-32-10-4-5-11-36(32)28-37)40-26-20-35(21-27-40)42-29-46-30-44-45(42)41-12-6-7-13-43(41)48-44/h1-29,46H,30H2
InChIKeyKVZACGGZSHGONX-UHFFFAOYSA-N
MW616.76 g/mol
LogP11.88
Rot. Bonds6

About N-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline

N-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline (PubChem CID 166861977) has the molecular formula C45H32N2O and a molecular weight of 616.76 g/mol. Its IUPAC name is N-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
PubChem CID166861977
Molecular FormulaC45H32N2O
Molecular Weight616.76 g/mol
Exact Mass616.25
IUPAC NameN-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
SMILESC1=C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2c(oc3ccccc23)CN1
InChIInChI=1S/C45H32N2O/c1-2-8-31(9-3-1)33-16-22-38(23-17-33)47(39-24-18-34(19-25-39)37-15-14-32-10-4-5-11-36(32)28-37)40-26-20-35(21-27-40)42-29-46-30-44-45(42)41-12-6-7-13-43(41)48-44/h1-29,46H,30H2
InChIKeyKVZACGGZSHGONX-UHFFFAOYSA-N
XLogP11.88
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.76
LogP ≤ 511.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine
CID 166861053
N-(4-naphthalen-2-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170399078
N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170401801
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
CID 166860602
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402234
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394
N-naphthalen-2-yl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 170399013
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-4-phenylaniline
CID 170031307
4-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402257
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170401670

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline?
The IUPAC name of N-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline (CID 166861977) is N-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline.
What is the SMILES notation for N-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline?
The canonical SMILES for N-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline is C1=C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2c(oc3ccccc23)CN1.
What is the InChIKey of N-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline?
The InChIKey is KVZACGGZSHGONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2O/c1-2-8-31(9-3-1)33-16-22-38(23-17-33)47(39-24-18-34(19-25-39)37-15-14-32-10-4-5-11-36(32)28-37)40-26-20-35(21-27-40)42-29-46-30-44-45(42)41-12-6-7-13-43(41)48-44/h1-29,46H,30H2.
What are the key properties of N-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline?
N-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline has a molecular weight of 616.76 g/mol, XLogP of 11.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 166861977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).