N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine

C40H25NO — CID 167183208

IUPACN-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine
SMILESc1ccc(N(c2cccc3c2ccc2ccc4ccccc4c23)c2cccc3ccc4c5ccccc5oc4c23)cc1
InChIInChI=1S/C40H25NO/c1-2-12-29(13-3-1)41(36-18-8-11-27-23-25-34-32-15-6-7-19-37(32)42-40(34)39(27)36)35-17-9-16-33-31(35)24-22-28-21-20-26-10-4-5-14-30(26)38(28)33/h1-25H
InChIKeyZSODBZGWAZPIEU-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.67
Rot. Bonds3

About N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine

N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine (PubChem CID 167183208) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine
PubChem CID167183208
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC NameN-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine
SMILESc1ccc(N(c2cccc3c2ccc2ccc4ccccc4c23)c2cccc3ccc4c5ccccc5oc4c23)cc1
InChIInChI=1S/C40H25NO/c1-2-12-29(13-3-1)41(36-18-8-11-27-23-25-34-32-15-6-7-19-37(32)42-40(34)39(27)36)35-17-9-16-33-31(35)24-22-28-21-20-26-10-4-5-14-30(26)38(28)33/h1-25H
InChIKeyZSODBZGWAZPIEU-UHFFFAOYSA-N
XLogP11.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 511.67
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,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167278045
N-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167278179
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167181692
N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167277676
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167182773
N-methyl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine
CID 169285523
1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine
CID 170410635
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 167277908
N-naphthalen-1-yl-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]phenanthren-9-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]-N-phenanthren-9-ylphenanthren-9-amine
CID 161255997
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-4-amine
CID 135271698
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277467

Frequently Asked Questions

What is the IUPAC name of N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine?
The IUPAC name of N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine (CID 167183208) is N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine.
What is the SMILES notation for N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine?
The canonical SMILES for N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine is c1ccc(N(c2cccc3c2ccc2ccc4ccccc4c23)c2cccc3ccc4c5ccccc5oc4c23)cc1.
What is the InChIKey of N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine?
The InChIKey is ZSODBZGWAZPIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-2-12-29(13-3-1)41(36-18-8-11-27-23-25-34-32-15-6-7-19-37(32)42-40(34)39(27)36)35-17-9-16-33-31(35)24-22-28-21-20-26-10-4-5-14-30(26)38(28)33/h1-25H.
What are the key properties of N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine?
N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine has a molecular weight of 535.65 g/mol, XLogP of 11.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine is sourced from PubChem (CID 167183208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).