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

C41H26N2O2 — CID 163809269

IUPACN-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-4-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cncc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C41H26N2O2/c1-2-10-27(11-3-1)31-12-4-5-13-32(31)28-18-20-29(21-19-28)43(30-22-23-39-35(24-30)33-14-6-8-16-37(33)44-39)36-25-42-26-40-41(36)34-15-7-9-17-38(34)45-40/h1-26H
InChIKeyNLVIDPMTNPYJDU-UHFFFAOYSA-N
MW578.67 g/mol
LogP11.68
Rot. Bonds5

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

N-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-4-amine (PubChem CID 163809269) has the molecular formula C41H26N2O2 and a molecular weight of 578.67 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-4-amine
PubChem CID163809269
Molecular FormulaC41H26N2O2
Molecular Weight578.67 g/mol
Exact Mass578.20
IUPAC NameN-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-4-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cncc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C41H26N2O2/c1-2-10-27(11-3-1)31-12-4-5-13-32(31)28-18-20-29(21-19-28)43(30-22-23-39-35(24-30)33-14-6-8-16-37(33)44-39)36-25-42-26-40-41(36)34-15-7-9-17-38(34)45-40/h1-26H
InChIKeyNLVIDPMTNPYJDU-UHFFFAOYSA-N
XLogP11.68
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.67
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-4-amine
CID 166860772
N-(4-phenylphenyl)-N-[2-phenyl-4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 155122863
N-[4-(4-phenylphenyl)phenyl]-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502864
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502866
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
CID 170032953
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502132
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503042
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 122675345
N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502268
N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397725

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-4-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-4-amine (CID 163809269) is N-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-4-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-4-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-4-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cncc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-4-amine?
The InChIKey is NLVIDPMTNPYJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O2/c1-2-10-27(11-3-1)31-12-4-5-13-32(31)28-18-20-29(21-19-28)43(30-22-23-39-35(24-30)33-14-6-8-16-37(33)44-39)36-25-42-26-40-41(36)34-15-7-9-17-38(34)45-40/h1-26H.
What are the key properties of N-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-4-amine?
N-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-4-amine has a molecular weight of 578.67 g/mol, XLogP of 11.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-4-amine is sourced from PubChem (CID 163809269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).