N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine

C44H29NO — CID 176820436

IUPACN-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(ccc6ccccc65)c4)cc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C44H29NO/c1-3-11-30(12-4-1)40-28-27-39(43-41-17-9-10-18-42(41)46-44(40)43)32-21-23-35(24-22-32)45(34-14-5-2-6-15-34)36-25-26-38-33(29-36)20-19-31-13-7-8-16-37(31)38/h1-29H
InChIKeyISPQXFCDVAKJEH-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine

N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine (PubChem CID 176820436) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
PubChem CID176820436
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(ccc6ccccc65)c4)cc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C44H29NO/c1-3-11-30(12-4-1)40-28-27-39(43-41-17-9-10-18-42(41)46-44(40)43)32-21-23-35(24-22-32)45(34-14-5-2-6-15-34)36-25-26-38-33(29-36)20-19-31-13-7-8-16-37(31)38/h1-29H
InChIKeyISPQXFCDVAKJEH-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
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-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 176821352
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820582
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820471
N-phenanthren-2-yl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
CID 176820936
N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine
CID 176821326
N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820562
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
CID 176820574
N-phenanthren-2-yl-N-(3-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821033
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785
N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 167086919
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-phenanthren-1-yl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]dibenzofuran-2-amine
CID 176820979

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine?
The IUPAC name of N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine (CID 176820436) is N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(ccc6ccccc65)c4)cc3)c3c2oc2ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine?
The InChIKey is ISPQXFCDVAKJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-3-11-30(12-4-1)40-28-27-39(43-41-17-9-10-18-42(41)46-44(40)43)32-21-23-35(24-22-32)45(34-14-5-2-6-15-34)36-25-26-38-33(29-36)20-19-31-13-7-8-16-37(31)38/h1-29H.
What are the key properties of N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine?
N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 176820436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).