N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine

C50H31NO — CID 174275128

IUPACN-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine
SMILESc1ccc(N(c2ccc3c(ccc4ccccc43)c2)c2ccc3c(ccc4ccccc43)c2)c(-c2cccc3c2oc2cc4ccccc4cc23)c1
InChIInChI=1S/C50H31NO/c1-2-13-35-31-49-47(30-34(35)12-1)46-18-9-17-45(50(46)52-49)44-16-7-8-19-48(44)51(38-24-26-42-36(28-38)22-20-32-10-3-5-14-40(32)42)39-25-27-43-37(29-39)23-21-33-11-4-6-15-41(33)43/h1-31H
InChIKeyARUBPXLNDMCMBZ-UHFFFAOYSA-N
MW661.80 g/mol
LogP14.49
Rot. Bonds4

About N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine

N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine (PubChem CID 174275128) has the molecular formula C50H31NO and a molecular weight of 661.80 g/mol. Its IUPAC name is N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine.

Molecular Properties

Compound NameN-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine
PubChem CID174275128
Molecular FormulaC50H31NO
Molecular Weight661.80 g/mol
Exact Mass661.24
IUPAC NameN-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine
SMILESc1ccc(N(c2ccc3c(ccc4ccccc43)c2)c2ccc3c(ccc4ccccc43)c2)c(-c2cccc3c2oc2cc4ccccc4cc23)c1
InChIInChI=1S/C50H31NO/c1-2-13-35-31-49-47(30-34(35)12-1)46-18-9-17-45(50(46)52-49)44-16-7-8-19-48(44)51(38-24-26-42-36(28-38)22-20-32-10-3-5-14-40(32)42)39-25-27-43-37(29-39)23-21-33-11-4-6-15-41(33)43/h1-31H
InChIKeyARUBPXLNDMCMBZ-UHFFFAOYSA-N
XLogP14.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.80
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-9-ylphenanthren-2-amine
CID 174275538
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline
CID 174275343
N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline
CID 174275030
N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 174275617
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 174275519
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 174285036
8-N,23-N-di(phenanthren-2-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155361439
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 174275436
N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine
CID 170666032
6-(6-dibenzofuran-4-yldibenzofuran-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-1-amine
CID 174244558
N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine
CID 174271464
N-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 167031792

Frequently Asked Questions

What is the IUPAC name of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine?
The IUPAC name of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine (CID 174275128) is N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine.
What is the SMILES notation for N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine?
The canonical SMILES for N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine is c1ccc(N(c2ccc3c(ccc4ccccc43)c2)c2ccc3c(ccc4ccccc43)c2)c(-c2cccc3c2oc2cc4ccccc4cc23)c1.
What is the InChIKey of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine?
The InChIKey is ARUBPXLNDMCMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO/c1-2-13-35-31-49-47(30-34(35)12-1)46-18-9-17-45(50(46)52-49)44-16-7-8-19-48(44)51(38-24-26-42-36(28-38)22-20-32-10-3-5-14-40(32)42)39-25-27-43-37(29-39)23-21-33-11-4-6-15-41(33)43/h1-31H.
What are the key properties of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine?
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine has a molecular weight of 661.80 g/mol, XLogP of 14.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine is sourced from PubChem (CID 174275128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).