N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine

C42H27NO — CID 168809644

IUPACN-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5ccc6ccccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C42H27NO/c1-3-11-35-28(8-1)10-7-14-36(35)30-18-21-32(22-19-30)43(34-24-25-39-38-13-5-6-15-41(38)44-42(39)27-34)33-23-20-31-17-16-29-9-2-4-12-37(29)40(31)26-33/h1-27H
InChIKeyPBHJSZZCSHFESH-UHFFFAOYSA-N
MW561.68 g/mol
LogP12.18
Rot. Bonds4

About N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine

N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine (PubChem CID 168809644) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
PubChem CID168809644
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5ccc6ccccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C42H27NO/c1-3-11-35-28(8-1)10-7-14-36(35)30-18-21-32(22-19-30)43(34-24-25-39-38-13-5-6-15-41(38)44-42(39)27-34)33-23-20-31-17-16-29-9-2-4-12-37(29)40(31)26-33/h1-27H
InChIKeyPBHJSZZCSHFESH-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-chrysen-3-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137454
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 170130376
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 121325430
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599
N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-6-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 153300583
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzofuran-3-amine
CID 170032027
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168809728

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine (CID 168809644) is N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine is c1ccc2c(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5ccc6ccccc6c5c4)cc3)cccc2c1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine?
The InChIKey is PBHJSZZCSHFESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-3-11-35-28(8-1)10-7-14-36(35)30-18-21-32(22-19-30)43(34-24-25-39-38-13-5-6-15-41(38)44-42(39)27-34)33-23-20-31-17-16-29-9-2-4-12-37(29)40(31)26-33/h1-27H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine?
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-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-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine is sourced from PubChem (CID 168809644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).