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

C41H26N2O — CID 163421017

IUPACN-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine
SMILESc1ccc(N(c2ccc(-c3cc4c5ccccc5ccc4c4ccccc34)cc2)c2cccc3c2oc2ccncc23)cc1
InChIInChI=1S/C41H26N2O/c1-2-10-29(11-3-1)43(39-16-8-15-35-38-26-42-24-23-40(38)44-41(35)39)30-20-17-28(18-21-30)36-25-37-31-12-5-4-9-27(31)19-22-34(37)32-13-6-7-14-33(32)36/h1-26H
InChIKeyAILVTYLECWGHED-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.58
Rot. Bonds4

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

N-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine (PubChem CID 163421017) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is N-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine.

Molecular Properties

Compound NameN-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine
PubChem CID163421017
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC NameN-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine
SMILESc1ccc(N(c2ccc(-c3cc4c5ccccc5ccc4c4ccccc34)cc2)c2cccc3c2oc2ccncc23)cc1
InChIInChI=1S/C41H26N2O/c1-2-10-29(11-3-1)43(39-16-8-15-35-38-26-42-24-23-40(38)44-41(35)39)30-20-17-28(18-21-30)36-25-37-31-12-5-4-9-27(31)19-22-34(37)32-13-6-7-14-33(32)36/h1-26H
InChIKeyAILVTYLECWGHED-UHFFFAOYSA-N
XLogP11.58
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine
CID 166861288
N-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine
CID 168737831
N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine
CID 154936079
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167143783
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine
CID 166861010
N-(4-chrysen-6-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-6-amine
CID 168738317
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine
CID 167330132
N-(3-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 169007710
N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170136843
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
CID 176820574
N-phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 167277912

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine?
The IUPAC name of N-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine (CID 163421017) is N-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine.
What is the SMILES notation for N-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine?
The canonical SMILES for N-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine is c1ccc(N(c2ccc(-c3cc4c5ccccc5ccc4c4ccccc34)cc2)c2cccc3c2oc2ccncc23)cc1.
What is the InChIKey of N-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine?
The InChIKey is AILVTYLECWGHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-2-10-29(11-3-1)43(39-16-8-15-35-38-26-42-24-23-40(38)44-41(35)39)30-20-17-28(18-21-30)36-25-37-31-12-5-4-9-27(31)19-22-34(37)32-13-6-7-14-33(32)36/h1-26H.
What are the key properties of N-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine?
N-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine has a molecular weight of 562.67 g/mol, XLogP of 11.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine is sourced from PubChem (CID 163421017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).