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

C41H26N2O — CID 168737780

IUPACN-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3ccc4oc5ccncc5c4c3)cc2)cc1
InChIInChI=1S/C41H26N2O/c1-2-6-27(7-3-1)28-14-16-32(17-15-28)43(34-19-21-39-37(25-34)38-26-42-23-22-40(38)44-39)33-18-20-36-31(24-33)13-12-30-11-10-29-8-4-5-9-35(29)41(30)36/h1-26H
InChIKeyYQKMLMPIVJXIST-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.58
Rot. Bonds4

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

N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine (PubChem CID 168737780) 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[3,2-c]pyridin-8-amine.

Molecular Properties

Compound NameN-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine
PubChem CID168737780
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC NameN-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3ccc4oc5ccncc5c4c3)cc2)cc1
InChIInChI=1S/C41H26N2O/c1-2-6-27(7-3-1)28-14-16-32(17-15-28)43(34-19-21-39-37(25-34)38-26-42-23-22-40(38)44-39)33-18-20-36-31(24-33)13-12-30-11-10-29-8-4-5-9-35(29)41(30)36/h1-26H
InChIKeyYQKMLMPIVJXIST-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[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine
CID 166860600
N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
CID 166862062
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 163540753
N-naphthalen-2-yl-N-(3-phenylphenyl)-3-oxa-7-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16(21),17,19-decaen-18-amine
CID 167171622
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine
CID 166861010
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167124652
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 177130873
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-9-amine
CID 166861708
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123128
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167184000
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394

Frequently Asked Questions

What is the IUPAC name of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine?
The IUPAC name of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine (CID 168737780) is N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine.
What is the SMILES notation for N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine?
The canonical SMILES for N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine is c1ccc(-c2ccc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3ccc4oc5ccncc5c4c3)cc2)cc1.
What is the InChIKey of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine?
The InChIKey is YQKMLMPIVJXIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-2-6-27(7-3-1)28-14-16-32(17-15-28)43(34-19-21-39-37(25-34)38-26-42-23-22-40(38)44-39)33-18-20-36-31(24-33)13-12-30-11-10-29-8-4-5-9-35(29)41(30)36/h1-26H.
What are the key properties of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine?
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-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[3,2-c]pyridin-8-amine is sourced from PubChem (CID 168737780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).