N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine

C56H35NO2 — CID 176821213

IUPACN-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2oc2cc(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccc(-c6ccccc6)c6oc7ccccc7c56)cc4)ccc23)cc1
InChIInChI=1S/C56H35NO2/c1-3-12-37(13-4-1)46-19-11-20-49-48-30-26-40(35-53(48)59-55(46)49)36-24-27-42(28-25-36)57(43-29-31-45-41(34-43)23-22-39-16-7-8-17-44(39)45)51-33-32-47(38-14-5-2-6-15-38)56-54(51)50-18-9-10-21-52(50)58-56/h1-35H
InChIKeyXBZYCTRBBPDNFA-UHFFFAOYSA-N
MW753.90 g/mol
LogP16.26
Rot. Bonds6

About N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine

N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine (PubChem CID 176821213) has the molecular formula C56H35NO2 and a molecular weight of 753.90 g/mol. Its IUPAC name is N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine
PubChem CID176821213
Molecular FormulaC56H35NO2
Molecular Weight753.90 g/mol
Exact Mass753.27
IUPAC NameN-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2oc2cc(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccc(-c6ccccc6)c6oc7ccccc7c56)cc4)ccc23)cc1
InChIInChI=1S/C56H35NO2/c1-3-12-37(13-4-1)46-19-11-20-49-48-30-26-40(35-53(48)59-55(46)49)36-24-27-42(28-25-36)57(43-29-31-45-41(34-43)23-22-39-16-7-8-17-44(39)45)51-33-32-47(38-14-5-2-6-15-38)56-54(51)50-18-9-10-21-52(50)58-56/h1-35H
InChIKeyXBZYCTRBBPDNFA-UHFFFAOYSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.90
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820992
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821403
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785
N-phenanthren-2-yl-N-(3-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821033
N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820562
N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821323
N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821192
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821320
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810
N-(2,4-diphenylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820607
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine
CID 176820794
N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 176820694

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine (CID 176821213) is N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2cccc3c2oc2cc(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccc(-c6ccccc6)c6oc7ccccc7c56)cc4)ccc23)cc1.
What is the InChIKey of N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is XBZYCTRBBPDNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO2/c1-3-12-37(13-4-1)46-19-11-20-49-48-30-26-40(35-53(48)59-55(46)49)36-24-27-42(28-25-36)57(43-29-31-45-41(34-43)23-22-39-16-7-8-17-44(39)45)51-33-32-47(38-14-5-2-6-15-38)56-54(51)50-18-9-10-21-52(50)58-56/h1-35H.
What are the key properties of N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine?
N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 753.90 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176821213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).