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

C46H29NO — CID 167183226

IUPACN-(4-benzo[c]phenanthren-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccc5ccc6ccccc6c5c34)cc2)c2ccc3oc4cc5ccccc5cc4c3c2)cc1
InChIInChI=1S/C46H29NO/c1-2-13-36(14-3-1)47(38-25-26-43-42(29-38)41-27-34-10-4-5-11-35(34)28-44(41)48-43)37-23-21-31(22-24-37)40-16-8-12-32-19-20-33-18-17-30-9-6-7-15-39(30)46(33)45(32)40/h1-29H
InChIKeyHXORPWVZDCWDBS-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

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

N-(4-benzo[c]phenanthren-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 167183226) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N-(4-benzo[c]phenanthren-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-(4-benzo[c]phenanthren-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine
PubChem CID167183226
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-(4-benzo[c]phenanthren-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccc5ccc6ccccc6c5c34)cc2)c2ccc3oc4cc5ccccc5cc4c3c2)cc1
InChIInChI=1S/C46H29NO/c1-2-13-36(14-3-1)47(38-25-26-43-42(29-38)41-27-34-10-4-5-11-35(34)28-44(41)48-43)37-23-21-31(22-24-37)40-16-8-12-32-19-20-33-18-17-30-9-6-7-15-39(30)46(33)45(32)40/h1-29H
InChIKeyHXORPWVZDCWDBS-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.74
LogP ≤ 513.34
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-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 166055376
N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170001218
8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine
CID 130208127
N-(8-naphthalen-2-ylnaphthalen-2-yl)-N-phenyldibenzofuran-2-amine
CID 176588075
6-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
CID 118406083
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167182181
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 121325430
3-N-dibenzofuran-2-yl-1-N-dibenzofuran-3-yl-3-N-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-6-yl)-1-N-phenylbenzene-1,3-diamine
CID 170410406
N-dibenzofuran-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-8-amine
CID 169285130
N-dibenzofuran-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,3-b][1]benzofuran-4-amine
CID 169285185
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 167183736
N-(4-dibenzofuran-1-ylphenyl)-N-phenylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167413014

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]phenanthren-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of N-(4-benzo[c]phenanthren-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine (CID 167183226) is N-(4-benzo[c]phenanthren-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for N-(4-benzo[c]phenanthren-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for N-(4-benzo[c]phenanthren-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine is c1ccc(N(c2ccc(-c3cccc4ccc5ccc6ccccc6c5c34)cc2)c2ccc3oc4cc5ccccc5cc4c3c2)cc1.
What is the InChIKey of N-(4-benzo[c]phenanthren-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is HXORPWVZDCWDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-13-36(14-3-1)47(38-25-26-43-42(29-38)41-27-34-10-4-5-11-35(34)28-44(41)48-43)37-23-21-31(22-24-37)40-16-8-12-32-19-20-33-18-17-30-9-6-7-15-39(30)46(33)45(32)40/h1-29H.
What are the key properties of N-(4-benzo[c]phenanthren-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine?
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine has a molecular weight of 611.74 g/mol, XLogP of 13.34, 4 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-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 167183226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).