6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C62H41NO — CID 168772122

IUPAC6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)c3cccc4c3oc3c(-c5ccccc5)ccc(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C62H41NO/c1-5-18-42(19-6-1)43-32-36-48(37-33-43)63(57-31-17-30-56-60-50(44-20-7-2-8-21-44)40-41-51(62(60)64-61(56)57)45-22-9-3-10-23-45)49-38-34-47(35-39-49)59-55-29-16-14-27-53(55)52-26-13-15-28-54(52)58(59)46-24-11-4-12-25-46/h1-41H
InChIKeyFBRXFRHRYVNRMC-UHFFFAOYSA-N
MW816.02 g/mol
LogP17.70
Rot. Bonds8

About 6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 168772122) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is 6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID168772122
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC Name6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)c3cccc4c3oc3c(-c5ccccc5)ccc(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C62H41NO/c1-5-18-42(19-6-1)43-32-36-48(37-33-43)63(57-31-17-30-56-60-50(44-20-7-2-8-21-44)40-41-51(62(60)64-61(56)57)45-22-9-3-10-23-45)49-38-34-47(35-39-49)59-55-29-16-14-27-53(55)52-26-13-15-28-54(52)58(59)46-24-11-4-12-25-46/h1-41H
InChIKeyFBRXFRHRYVNRMC-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,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169064711
6-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289732
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804010
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289864
16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine
CID 171433656
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 142614505
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 169062413
N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine
CID 168772034

Frequently Asked Questions

What is the IUPAC name of 6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 168772122) is 6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)c3cccc4c3oc3c(-c5ccccc5)ccc(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of 6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is FBRXFRHRYVNRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-5-18-42(19-6-1)43-32-36-48(37-33-43)63(57-31-17-30-56-60-50(44-20-7-2-8-21-44)40-41-51(62(60)64-61(56)57)45-22-9-3-10-23-45)49-38-34-47(35-39-49)59-55-29-16-14-27-53(55)52-26-13-15-28-54(52)58(59)46-24-11-4-12-25-46/h1-41H.
What are the key properties of 6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)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 6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 168772122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).