N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine

C50H33NO — CID 176821447

IUPACN-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3ccc3ccccc34)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc2-c2ccccc2)cc1
InChIInChI=1S/C50H33NO/c1-4-15-34(16-5-1)40-30-28-38(33-45(40)36-19-8-3-9-20-36)51(46-25-14-24-42-39-22-11-10-21-37(39)27-29-43(42)46)47-32-31-41(35-17-6-2-7-18-35)50-49(47)44-23-12-13-26-48(44)52-50/h1-33H
InChIKeyREUQTVPVYKGVCW-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine

N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine (PubChem CID 176821447) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
PubChem CID176821447
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3ccc3ccccc34)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc2-c2ccccc2)cc1
InChIInChI=1S/C50H33NO/c1-4-15-34(16-5-1)40-30-28-38(33-45(40)36-19-8-3-9-20-36)51(46-25-14-24-42-39-22-11-10-21-37(39)27-29-43(42)46)47-32-31-41(35-17-6-2-7-18-35)50-49(47)44-23-12-13-26-48(44)52-50/h1-33H
InChIKeyREUQTVPVYKGVCW-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
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-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176820885
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432
N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine
CID 176820953
N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821060
N-phenanthren-2-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820506
N-dibenzothiophen-3-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821400
N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820707
N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 169007480
N-phenanthren-2-yl-N-phenanthren-4-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821172
4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820677
N-(2,5-diphenylphenyl)-N-phenanthren-1-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820901
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine (CID 176821447) is N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine is c1ccc(-c2ccc(N(c3cccc4c3ccc3ccccc34)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine?
The InChIKey is REUQTVPVYKGVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-4-15-34(16-5-1)40-30-28-38(33-45(40)36-19-8-3-9-20-36)51(46-25-14-24-42-39-22-11-10-21-37(39)27-29-43(42)46)47-32-31-41(35-17-6-2-7-18-35)50-49(47)44-23-12-13-26-48(44)52-50/h1-33H.
What are the key properties of N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine?
N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine is sourced from PubChem (CID 176821447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).