N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine

C50H33NO — CID 168789511

IUPACN-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cc3ccccc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C50H33NO/c1-3-17-34(18-4-1)37-22-9-12-27-43(37)49-39(35-19-5-2-6-20-35)28-15-30-45(49)51(46-31-16-29-44-42-26-13-14-32-48(42)52-50(44)46)47-33-36-21-7-8-23-38(36)40-24-10-11-25-41(40)47/h1-33H
InChIKeyWPPGMYXFYYJKEV-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine

N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 168789511) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID168789511
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cc3ccccc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C50H33NO/c1-3-17-34(18-4-1)37-22-9-12-27-43(37)49-39(35-19-5-2-6-20-35)28-15-30-45(49)51(46-31-16-29-44-42-26-13-14-32-48(42)52-50(44)46)47-33-36-21-7-8-23-38(36)40-24-10-11-25-41(40)47/h1-33H
InChIKeyWPPGMYXFYYJKEV-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-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168790337
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788827
N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine
CID 155304515
N-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167285468
N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155303613
1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine
CID 140901981
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 170665807
N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168789688
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788600
N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502818
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine (CID 168789511) is N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cc3ccccc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is WPPGMYXFYYJKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-17-34(18-4-1)37-22-9-12-27-43(37)49-39(35-19-5-2-6-20-35)28-15-30-45(49)51(46-31-16-29-44-42-26-13-14-32-48(42)52-50(44)46)47-33-36-21-7-8-23-38(36)40-24-10-11-25-41(40)47/h1-33H.
What are the key properties of N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-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-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 168789511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).