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

C56H37NO — CID 176821352

IUPACN-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)c6oc7ccccc7c56)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-11-38(12-4-1)39-19-21-40(22-20-39)41-25-29-46(30-26-41)57(48-33-34-50-45(37-48)24-23-43-15-7-8-16-49(43)50)47-31-27-44(28-32-47)51-35-36-52(42-13-5-2-6-14-42)56-55(51)53-17-9-10-18-54(53)58-56/h1-37H
InChIKeyQPZWCRRBUFSSOH-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

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

N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine (PubChem CID 176821352) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
PubChem CID176821352
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)c6oc7ccccc7c56)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-11-38(12-4-1)39-19-21-40(22-20-39)41-25-29-46(30-26-41)57(48-33-34-50-45(37-48)24-23-43-15-7-8-16-49(43)50)47-31-27-44(28-32-47)51-35-36-52(42-13-5-2-6-14-42)56-55(51)53-17-9-10-18-54(53)58-56/h1-37H
InChIKeyQPZWCRRBUFSSOH-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
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-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820436
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820471
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820582
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-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
CID 176820574
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820992
N-phenanthren-2-yl-N-(3-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821033
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810
N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821323

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The IUPAC name of N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine (CID 176821352) is N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)c6oc7ccccc7c56)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The InChIKey is QPZWCRRBUFSSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-3-11-38(12-4-1)39-19-21-40(22-20-39)41-25-29-46(30-26-41)57(48-33-34-50-45(37-48)24-23-43-15-7-8-16-49(43)50)47-31-27-44(28-32-47)51-35-36-52(42-13-5-2-6-14-42)56-55(51)53-17-9-10-18-54(53)58-56/h1-37H.
What are the key properties of N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 176821352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).