N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine

C40H25NO — CID 167277676

IUPACN-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine
SMILESc1ccc2c(N(c3cc4ccccc4c4ccccc34)c3cccc4ccc5c6ccccc6oc5c34)cccc2c1
InChIInChI=1S/C40H25NO/c1-4-16-30-26(11-1)13-9-20-35(30)41(37-25-28-12-2-3-15-29(28)31-17-5-6-18-32(31)37)36-21-10-14-27-23-24-34-33-19-7-8-22-38(33)42-40(34)39(27)36/h1-25H
InChIKeyOXUYNVSZTMJGKI-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.67
Rot. Bonds3

About N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine

N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine (PubChem CID 167277676) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine
PubChem CID167277676
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC NameN-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine
SMILESc1ccc2c(N(c3cc4ccccc4c4ccccc34)c3cccc4ccc5c6ccccc6oc5c34)cccc2c1
InChIInChI=1S/C40H25NO/c1-4-16-30-26(11-1)13-9-20-35(30)41(37-25-28-12-2-3-15-29(28)31-17-5-6-18-32(31)37)36-21-10-14-27-23-24-34-33-19-7-8-22-38(33)42-40(34)39(27)36/h1-25H
InChIKeyOXUYNVSZTMJGKI-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-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
4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine
CID 176821108
N-phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 167277912
N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167183208
N-phenanthren-3-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277186
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 170130871
N-phenanthren-4-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820452
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 167277908
N-phenanthren-9-yl-N-(3-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-phenanthren-9-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
CID 161154090
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277467

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine?
The IUPAC name of N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine (CID 167277676) is N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine?
The canonical SMILES for N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine is c1ccc2c(N(c3cc4ccccc4c4ccccc34)c3cccc4ccc5c6ccccc6oc5c34)cccc2c1.
What is the InChIKey of N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine?
The InChIKey is OXUYNVSZTMJGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-4-16-30-26(11-1)13-9-20-35(30)41(37-25-28-12-2-3-15-29(28)31-17-5-6-18-32(31)37)36-21-10-14-27-23-24-34-33-19-7-8-22-38(33)42-40(34)39(27)36/h1-25H.
What are the key properties of N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine?
N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[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-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine is sourced from PubChem (CID 167277676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).