N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine

C62H41NO — CID 155304327

IUPACN-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc(N(c5c(-c6cccc(-c7ccccc7)c6)c6ccccc6c6ccccc56)c5cccc6c5oc5ccccc56)cc4)cc3)c2)cc1
InChIInChI=1S/C62H41NO/c1-3-16-42(17-4-1)47-20-13-21-48(40-47)46-34-32-44(33-35-46)45-36-38-51(39-37-45)63(58-30-15-29-57-54-26-11-12-31-59(54)64-62(57)58)61-56-28-10-8-25-53(56)52-24-7-9-27-55(52)60(61)50-23-14-22-49(41-50)43-18-5-2-6-19-43/h1-41H
InChIKeyQTASSTIEMBMUJC-UHFFFAOYSA-N
MW816.02 g/mol
LogP17.70
Rot. Bonds8

About N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine

N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine (PubChem CID 155304327) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
PubChem CID155304327
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC NameN-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc(N(c5c(-c6cccc(-c7ccccc7)c6)c6ccccc6c6ccccc56)c5cccc6c5oc5ccccc56)cc4)cc3)c2)cc1
InChIInChI=1S/C62H41NO/c1-3-16-42(17-4-1)47-20-13-21-48(40-47)46-34-32-44(33-35-46)45-36-38-51(39-37-45)63(58-30-15-29-57-54-26-11-12-31-59(54)64-62(57)58)61-56-28-10-8-25-53(56)52-24-7-9-27-55(52)60(61)50-23-14-22-49(41-50)43-18-5-2-6-19-43/h1-41H
InChIKeyQTASSTIEMBMUJC-UHFFFAOYSA-N
XLogP17.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 517.70
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-[10-[3-[4-[4-[4-[4-[dibenzofuran-3-yl-[2-[3-[3-[dibenzofuran-4-yl-(10-phenylphenanthren-9-yl)amino]-5-phenylphenyl]phenyl]-10-phenylphenanthren-9-yl]amino]phenyl]phenyl]phenyl]phenyl]phenyl]phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 155305128
N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134453745
9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 89254658
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine
CID 155304392
N-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine
CID 155303746
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine
CID 155303419
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 169064628

Frequently Asked Questions

What is the IUPAC name of N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine (CID 155304327) is N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine is c1ccc(-c2cccc(-c3ccc(-c4ccc(N(c5c(-c6cccc(-c7ccccc7)c6)c6ccccc6c6ccccc56)c5cccc6c5oc5ccccc56)cc4)cc3)c2)cc1.
What is the InChIKey of N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine?
The InChIKey is QTASSTIEMBMUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-3-16-42(17-4-1)47-20-13-21-48(40-47)46-34-32-44(33-35-46)45-36-38-51(39-37-45)63(58-30-15-29-57-54-26-11-12-31-59(54)64-62(57)58)61-56-28-10-8-25-53(56)52-24-7-9-27-55(52)60(61)50-23-14-22-49(41-50)43-18-5-2-6-19-43/h1-41H.
What are the key properties of N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine?
N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine has a molecular weight of 816.02 g/mol, XLogP of 17.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 155304327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).