4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline

C64H43N — CID 58160974

IUPAC4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccccc45)c4ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C64H43N/c1-5-21-44(22-6-1)51-42-39-47(43-60(51)45-23-7-2-8-24-45)62-54-31-15-19-35-58(54)64(59-36-20-16-32-55(59)62)63-56-33-17-13-29-52(56)61(53-30-14-18-34-57(53)63)46-37-40-50(41-38-46)65(48-25-9-3-10-26-48)49-27-11-4-12-28-49/h1-43H
InChIKeyFHPVVACNBVMGCN-UHFFFAOYSA-N
MW826.06 g/mol
LogP18.10
Rot. Bonds8

About 4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline

4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline (PubChem CID 58160974) has the molecular formula C64H43N and a molecular weight of 826.06 g/mol. Its IUPAC name is 4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline
PubChem CID58160974
Molecular FormulaC64H43N
Molecular Weight826.06 g/mol
Exact Mass825.34
IUPAC Name4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccccc45)c4ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C64H43N/c1-5-21-44(22-6-1)51-42-39-47(43-60(51)45-23-7-2-8-24-45)62-54-31-15-19-35-58(54)64(59-36-20-16-32-55(59)62)63-56-33-17-13-29-52(56)61(53-30-14-18-34-57(53)63)46-37-40-50(41-38-46)65(48-25-9-3-10-26-48)49-27-11-4-12-28-49/h1-43H
InChIKeyFHPVVACNBVMGCN-UHFFFAOYSA-N
XLogP18.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 169063252
N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59459845
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 169062596
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 169062049
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline
CID 169061959
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063649
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769

Frequently Asked Questions

What is the IUPAC name of 4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline (CID 58160974) is 4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline is c1ccc(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccccc45)c4ccccc34)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline?
The InChIKey is FHPVVACNBVMGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N/c1-5-21-44(22-6-1)51-42-39-47(43-60(51)45-23-7-2-8-24-45)62-54-31-15-19-35-58(54)64(59-36-20-16-32-55(59)62)63-56-33-17-13-29-52(56)61(53-30-14-18-34-57(53)63)46-37-40-50(41-38-46)65(48-25-9-3-10-26-48)49-27-11-4-12-28-49/h1-43H.
What are the key properties of 4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline?
4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline has a molecular weight of 826.06 g/mol, XLogP of 18.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline is sourced from PubChem (CID 58160974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).