N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine

C36H23NO — CID 118405743

IUPACN-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine
SMILESc1ccc2cc(N(c3ccc4oc5ccccc5c4c3)c3cc4ccccc4c4ccccc34)ccc2c1
InChIInChI=1S/C36H23NO/c1-2-10-25-21-27(18-17-24(25)9-1)37(28-19-20-36-33(23-28)32-15-7-8-16-35(32)38-36)34-22-26-11-3-4-12-29(26)30-13-5-6-14-31(30)34/h1-23H
InChIKeyBYZISRVTLAMOBS-UHFFFAOYSA-N
MW485.59 g/mol
LogP10.52
Rot. Bonds3

About N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine

N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine (PubChem CID 118405743) has the molecular formula C36H23NO and a molecular weight of 485.59 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine
PubChem CID118405743
Molecular FormulaC36H23NO
Molecular Weight485.59 g/mol
Exact Mass485.18
IUPAC NameN-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine
SMILESc1ccc2cc(N(c3ccc4oc5ccccc5c4c3)c3cc4ccccc4c4ccccc34)ccc2c1
InChIInChI=1S/C36H23NO/c1-2-10-25-21-27(18-17-24(25)9-1)37(28-19-20-36-33(23-28)32-15-7-8-16-35(32)38-36)34-22-26-11-3-4-12-29(26)30-13-5-6-14-31(30)34/h1-23H
InChIKeyBYZISRVTLAMOBS-UHFFFAOYSA-N
XLogP10.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 510.52
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-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-9-amine
CID 169157836
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 155305684
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 170130998
N-naphthalen-2-yl-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-amine
CID 170779635
N-phenanthren-3-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277186
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779179
N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804116
N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 121325423
10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine
CID 170284135
1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine
CID 170410722

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine?
The IUPAC name of N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine (CID 118405743) is N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine?
The canonical SMILES for N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine is c1ccc2cc(N(c3ccc4oc5ccccc5c4c3)c3cc4ccccc4c4ccccc34)ccc2c1.
What is the InChIKey of N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine?
The InChIKey is BYZISRVTLAMOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO/c1-2-10-25-21-27(18-17-24(25)9-1)37(28-19-20-36-33(23-28)32-15-7-8-16-35(32)38-36)34-22-26-11-3-4-12-29(26)30-13-5-6-14-31(30)34/h1-23H.
What are the key properties of N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine?
N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine has a molecular weight of 485.59 g/mol, XLogP of 10.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine is sourced from PubChem (CID 118405743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).