N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine

C41H26N2O — CID 166861010

IUPACN-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3cccc4c3oc3cnccc34)cc2)cc1
InChIInChI=1S/C41H26N2O/c1-2-7-27(8-3-1)28-17-19-32(20-18-28)43(38-12-6-11-37-36-23-24-42-26-39(36)44-41(37)38)33-21-22-35-31(25-33)16-15-30-14-13-29-9-4-5-10-34(29)40(30)35/h1-26H
InChIKeyGVXCOBXMKXLXFA-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.58
Rot. Bonds4

About N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine

N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine (PubChem CID 166861010) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine.

Molecular Properties

Compound NameN-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine
PubChem CID166861010
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC NameN-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3cccc4c3oc3cnccc34)cc2)cc1
InChIInChI=1S/C41H26N2O/c1-2-7-27(8-3-1)28-17-19-32(20-18-28)43(38-12-6-11-37-36-23-24-42-26-39(36)44-41(37)38)33-21-22-35-31(25-33)16-15-30-14-13-29-9-4-5-10-34(29)40(30)35/h1-26H
InChIKeyGVXCOBXMKXLXFA-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-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167182773
N-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine
CID 163416185
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167183316
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 159519229
N-naphthalen-2-yl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-amine
CID 130466786
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167182004
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine
CID 166861288
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine
CID 168737780
N-dibenzofuran-4-yl-N-(4-phenylphenyl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine
CID 167171670
N-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine
CID 163421017
N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
CID 163825897
N-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine
CID 168737831

Frequently Asked Questions

What is the IUPAC name of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine?
The IUPAC name of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine (CID 166861010) is N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine.
What is the SMILES notation for N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine?
The canonical SMILES for N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine is c1ccc(-c2ccc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3cccc4c3oc3cnccc34)cc2)cc1.
What is the InChIKey of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine?
The InChIKey is GVXCOBXMKXLXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-2-7-27(8-3-1)28-17-19-32(20-18-28)43(38-12-6-11-37-36-23-24-42-26-39(36)44-41(37)38)33-21-22-35-31(25-33)16-15-30-14-13-29-9-4-5-10-34(29)40(30)35/h1-26H.
What are the key properties of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine?
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-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-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine is sourced from PubChem (CID 166861010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).