N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine

C54H35NO — CID 171399261

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4ccc5c6ccccc6ccc5c4c3)cc2)cc1
InChIInChI=1S/C54H35NO/c1-2-11-36(12-3-1)44-14-6-7-15-45(44)38-21-28-41(29-22-38)55(43-32-25-40-27-33-48-46-16-5-4-13-37(46)26-34-49(48)52(40)35-43)42-30-23-39(24-31-42)47-18-10-19-51-50-17-8-9-20-53(50)56-54(47)51/h1-35H
InChIKeyDMSARDLAKOYUHB-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine (PubChem CID 171399261) 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-(2-phenylphenyl)phenyl]chrysen-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
PubChem CID171399261
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4ccc5c6ccccc6ccc5c4c3)cc2)cc1
InChIInChI=1S/C54H35NO/c1-2-11-36(12-3-1)44-14-6-7-15-45(44)38-21-28-41(29-22-38)55(43-32-25-40-27-33-48-46-16-5-4-13-37(46)26-34-49(48)52(40)35-43)42-30-23-39(24-31-42)47-18-10-19-51-50-17-8-9-20-53(50)56-54(47)51/h1-35H
InChIKeyDMSARDLAKOYUHB-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.52
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-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168809728
N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline
CID 142614641
N-chrysen-3-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137454
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
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine
CID 168810031
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine
CID 169064498
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821403
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzothiophen-3-amine
CID 168809996
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine (CID 171399261) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4ccc5c6ccccc6ccc5c4c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine?
The InChIKey is DMSARDLAKOYUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-2-11-36(12-3-1)44-14-6-7-15-45(44)38-21-28-41(29-22-38)55(43-32-25-40-27-33-48-46-16-5-4-13-37(46)26-34-49(48)52(40)35-43)42-30-23-39(24-31-42)47-18-10-19-51-50-17-8-9-20-53(50)56-54(47)51/h1-35H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 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-(2-phenylphenyl)phenyl]chrysen-3-amine is sourced from PubChem (CID 171399261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).