N-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine

C41H26N2O — CID 166860600

IUPACN-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccncc5c4c3)c3cc4ccccc4c4c3ccc3ccccc34)cc2)cc1
InChIInChI=1S/C41H26N2O/c1-2-8-27(9-3-1)28-14-17-31(18-15-28)43(32-19-21-39-36(25-32)37-26-42-23-22-40(37)44-39)38-24-30-11-5-7-13-34(30)41-33-12-6-4-10-29(33)16-20-35(38)41/h1-26H
InChIKeyRLDNBNGNKHLOMV-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.58
Rot. Bonds4

About N-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine

N-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine (PubChem CID 166860600) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is N-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine
PubChem CID166860600
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC NameN-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccncc5c4c3)c3cc4ccccc4c4c3ccc3ccccc34)cc2)cc1
InChIInChI=1S/C41H26N2O/c1-2-8-27(9-3-1)28-14-17-31(18-15-28)43(32-19-21-39-36(25-32)37-26-42-23-22-40(37)44-39)38-24-30-11-5-7-13-34(30)41-33-12-6-4-10-29(33)16-20-35(38)41/h1-26H
InChIKeyRLDNBNGNKHLOMV-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)-[1]benzofuro[3,2-c]pyridin-8-amine
CID 168737780
N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
CID 166862062
N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 167183841
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-9-amine
CID 166861708
1-N,6-N-di(dibenzofuran-2-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
CID 58461990
N-phenanthren-9-yl-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)naphtho[2,1-b][1]benzofuran-10-amine;N-phenyl-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine
CID 157491247
N-(7-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177100194
N-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine
CID 167182901
N-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine
CID 167183214
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine
CID 166861010
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 163540753

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine?
The IUPAC name of N-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine (CID 166860600) is N-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine.
What is the SMILES notation for N-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine?
The canonical SMILES for N-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccncc5c4c3)c3cc4ccccc4c4c3ccc3ccccc34)cc2)cc1.
What is the InChIKey of N-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine?
The InChIKey is RLDNBNGNKHLOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-2-8-27(9-3-1)28-14-17-31(18-15-28)43(32-19-21-39-36(25-32)37-26-42-23-22-40(37)44-39)38-24-30-11-5-7-13-34(30)41-33-12-6-4-10-29(33)16-20-35(38)41/h1-26H.
What are the key properties of N-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine?
N-benzo[c]phenanthren-6-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[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine is sourced from PubChem (CID 166860600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).