N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine

C46H29NO — CID 167181830

IUPACN-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3cc4ccc5ccccc5c4c4ccccc34)cc2)c2cccc3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C46H29NO/c1-2-14-35(15-3-1)47(43-20-10-19-40-42-27-32-12-4-5-13-33(32)29-44(42)48-46(40)43)36-25-23-31(24-26-36)41-28-34-22-21-30-11-6-7-16-37(30)45(34)39-18-9-8-17-38(39)41/h1-29H
InChIKeyILRRDIUXWQVJTM-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine

N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 167181830) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
PubChem CID167181830
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3cc4ccc5ccccc5c4c4ccccc34)cc2)c2cccc3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C46H29NO/c1-2-14-35(15-3-1)47(43-20-10-19-40-42-27-32-12-4-5-13-33(32)29-44(42)48-46(40)43)36-25-23-31(24-26-36)41-28-34-22-21-30-11-6-7-16-37(30)45(34)39-18-9-8-17-38(39)41/h1-29H
InChIKeyILRRDIUXWQVJTM-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'}

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Related Compounds

N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine
CID 166861288
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167181692
N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 170140380
N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293
[4-(4-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-4-ylanilino)phenyl]boronic acid
CID 176616764
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167143783
9-N,25-N-di(dibenzofuran-4-yl)-9-N,25-N-diphenyl-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
CID 146497471
9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155362515
N-dibenzofuran-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,3-b][1]benzofuran-4-amine
CID 169285185
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 174275617
N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289750

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine (CID 167181830) is N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine is c1ccc(N(c2ccc(-c3cc4ccc5ccccc5c4c4ccccc34)cc2)c2cccc3c2oc2cc4ccccc4cc23)cc1.
What is the InChIKey of N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is ILRRDIUXWQVJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-14-35(15-3-1)47(43-20-10-19-40-42-27-32-12-4-5-13-33(32)29-44(42)48-46(40)43)36-25-23-31(24-26-36)41-28-34-22-21-30-11-6-7-16-37(30)45(34)39-18-9-8-17-38(39)41/h1-29H.
What are the key properties of N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-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-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 167181830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).