N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine

C54H35NO — CID 169277601

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine
SMILESC1=CC2=C(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)C=CC3c4ccccc4C(=C1)C23
InChIInChI=1S/C54H35NO/c1-2-10-41-35(9-1)19-20-38-33-37(25-30-42(38)41)34-21-26-39(27-22-34)55(51-32-31-48-45-12-4-3-11-44(45)47-15-8-17-50(51)53(47)48)40-28-23-36(24-29-40)43-14-7-16-49-46-13-5-6-18-52(46)56-54(43)49/h1-33,48,53H
InChIKeyNDBLZVOGICLYIP-UHFFFAOYSA-N
MW713.88 g/mol
LogP14.56
Rot. Bonds5

About N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine (PubChem CID 169277601) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine
PubChem CID169277601
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine
SMILESC1=CC2=C(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)C=CC3c4ccccc4C(=C1)C23
InChIInChI=1S/C54H35NO/c1-2-10-41-35(9-1)19-20-38-33-37(25-30-42(38)41)34-21-26-39(27-22-34)55(51-32-31-48-45-12-4-3-11-44(45)47-15-8-17-50(51)53(47)48)40-28-23-36(24-29-40)43-14-7-16-49-46-13-5-6-18-52(46)56-54(43)49/h1-33,48,53H
InChIKeyNDBLZVOGICLYIP-UHFFFAOYSA-N
XLogP14.56
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 514.56
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

4-(4b,8a-dihydrophenanthren-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 137392481
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine
CID 155119902
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]aniline
CID 88950712
N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374400
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159541648
2,3,4,5,6,7,8-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphthalen-1-amine
CID 170676821
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396678
N-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine
CID 137392477
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186611
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397813

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine (CID 169277601) is N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine is C1=CC2=C(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)C=CC3c4ccccc4C(=C1)C23.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine?
The InChIKey is NDBLZVOGICLYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-2-10-41-35(9-1)19-20-38-33-37(25-30-42(38)41)34-21-26-39(27-22-34)55(51-32-31-48-45-12-4-3-11-44(45)47-15-8-17-50(51)53(47)48)40-28-23-36(24-29-40)43-14-7-16-49-46-13-5-6-18-52(46)56-54(43)49/h1-33,48,53H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine has a molecular weight of 713.88 g/mol, XLogP of 14.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-10b,10c-dihydrofluoranthen-3-amine is sourced from PubChem (CID 169277601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).