N-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine

C52H33NO — CID 167184244

IUPACN-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5c5c4ccc4ccccc45)cc3)c3ccc4c(ccc5c6ccccc6oc45)c3)c2)cc1
InChIInChI=1S/C52H33NO/c1-2-11-34(12-3-1)37-15-10-16-41(31-37)53(42-27-30-45-39(32-42)24-29-48-46-19-8-9-20-50(46)54-52(45)48)40-25-21-36(22-26-40)49-33-38-14-5-7-18-44(38)51-43-17-6-4-13-35(43)23-28-47(49)51/h1-33H
InChIKeyXKOVYMXAJCGVSX-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine

N-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine (PubChem CID 167184244) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
PubChem CID167184244
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5c5c4ccc4ccccc45)cc3)c3ccc4c(ccc5c6ccccc6oc45)c3)c2)cc1
InChIInChI=1S/C52H33NO/c1-2-11-34(12-3-1)37-15-10-16-41(31-37)53(42-27-30-45-39(32-42)24-29-48-46-19-8-9-20-50(46)54-52(45)48)40-25-21-36(22-26-40)49-33-38-14-5-7-18-44(38)51-43-17-6-4-13-35(43)23-28-47(49)51/h1-33H
InChIKeyXKOVYMXAJCGVSX-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.84
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-phenylaniline
CID 167329469
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167144563
N-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)-N-phenyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 159701047
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 167181669
N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167143588
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N-phenyl-N-[4-(3-phenylphenyl)phenyl]-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine
CID 162215489
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-phenylaniline
CID 167331100
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 166938977
N-(4-benzo[c]phenanthren-6-ylphenyl)-3-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167183283
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-3-phenylaniline
CID 170030961

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
The IUPAC name of N-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine (CID 167184244) is N-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine.
What is the SMILES notation for N-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
The canonical SMILES for N-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine is c1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5c5c4ccc4ccccc45)cc3)c3ccc4c(ccc5c6ccccc6oc45)c3)c2)cc1.
What is the InChIKey of N-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
The InChIKey is XKOVYMXAJCGVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-2-11-34(12-3-1)37-15-10-16-41(31-37)53(42-27-30-45-39(32-42)24-29-48-46-19-8-9-20-50(46)54-52(45)48)40-25-21-36(22-26-40)49-33-38-14-5-7-18-44(38)51-43-17-6-4-13-35(43)23-28-47(49)51/h1-33H.
What are the key properties of N-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
N-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine has a molecular weight of 687.84 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine is sourced from PubChem (CID 167184244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).