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

C40H25NO — CID 167278179

IUPACN-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine
SMILESc1ccc2c(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4ccc5c6ccccc6oc5c34)cccc2c1
InChIInChI=1S/C40H25NO/c1-3-13-31-27(10-1)19-20-29-25-30(22-24-32(29)31)41(36-16-7-11-26-9-2-4-14-33(26)36)37-17-8-12-28-21-23-35-34-15-5-6-18-38(34)42-40(35)39(28)37/h1-25H
InChIKeyCQKZEZUYFXQQNP-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.67
Rot. Bonds3

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

N-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine (PubChem CID 167278179) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine
PubChem CID167278179
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC NameN-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine
SMILESc1ccc2c(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4ccc5c6ccccc6oc5c34)cccc2c1
InChIInChI=1S/C40H25NO/c1-3-13-31-27(10-1)19-20-29-25-30(22-24-32(29)31)41(36-16-7-11-26-9-2-4-14-33(26)36)37-17-8-12-28-21-23-35-34-15-5-6-18-38(34)42-40(35)39(28)37/h1-25H
InChIKeyCQKZEZUYFXQQNP-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-9-ylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167277676
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277467
N-phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 167277912
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 170130871
N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167183208
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-phenanthren-2-yl-N-phenanthren-3-yl-7-phenylnaphtho[1,2-b][1]benzofuran-1-amine
CID 146861358
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167182773
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 159519229
N-phenanthren-2-yl-N-phenanthren-4-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821172

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine?
The IUPAC name of N-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine (CID 167278179) is N-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine?
The canonical SMILES for N-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine is c1ccc2c(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4ccc5c6ccccc6oc5c34)cccc2c1.
What is the InChIKey of N-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine?
The InChIKey is CQKZEZUYFXQQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-3-13-31-27(10-1)19-20-29-25-30(22-24-32(29)31)41(36-16-7-11-26-9-2-4-14-33(26)36)37-17-8-12-28-21-23-35-34-15-5-6-18-38(34)42-40(35)39(28)37/h1-25H.
What are the key properties of N-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine?
N-naphthalen-1-yl-N-phenanthren-2-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-2-ylnaphtho[1,2-b][1]benzofuran-1-amine is sourced from PubChem (CID 167278179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).