N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine

C42H27NO — CID 168809708

IUPACN-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc5ccc6ccccc6c5c4)c4cccc5c4oc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C42H27NO/c1-2-10-32-26-33(19-16-28(32)8-1)29-20-23-34(24-21-29)43(40-14-7-13-38-37-12-5-6-15-41(37)44-42(38)40)35-25-22-31-18-17-30-9-3-4-11-36(30)39(31)27-35/h1-27H
InChIKeySHLJLCJNBZGOOY-UHFFFAOYSA-N
MW561.68 g/mol
LogP12.18
Rot. Bonds4

About N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine

N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine (PubChem CID 168809708) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
PubChem CID168809708
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc5ccc6ccccc6c5c4)c4cccc5c4oc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C42H27NO/c1-2-10-32-26-33(19-16-28(32)8-1)29-20-23-34(24-21-29)43(40-14-7-13-38-37-12-5-6-15-41(37)44-42(38)40)35-25-22-31-18-17-30-9-3-4-11-36(30)39(31)27-35/h1-27H
InChIKeySHLJLCJNBZGOOY-UHFFFAOYSA-N
XLogP12.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 512.18
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-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-8-phenyldibenzofuran-4-amine
CID 168809994
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine
CID 155119902
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804037
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-phenyl-3-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177080790
N-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738515
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
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396678
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-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-19-amine
CID 170779528

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine (CID 168809708) is N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine is c1ccc2cc(-c3ccc(N(c4ccc5ccc6ccccc6c5c4)c4cccc5c4oc4ccccc45)cc3)ccc2c1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine?
The InChIKey is SHLJLCJNBZGOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-2-10-32-26-33(19-16-28(32)8-1)29-20-23-34(24-21-29)43(40-14-7-13-38-37-12-5-6-15-41(37)44-42(38)40)35-25-22-31-18-17-30-9-3-4-11-36(30)39(31)27-35/h1-27H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine?
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine has a molecular weight of 561.68 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine is sourced from PubChem (CID 168809708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).