4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline

C78H59N3 — CID 59306586

IUPAC4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline
SMILESCc1cc(N(c2ccccc2)c2ccccc2)c(C)cc1-c1ccc2c(c1)c1cc(-c3cc(C)c(N(c4ccccc4)c4ccccc4)cc3C)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C78H59N3/c1-52-48-75(79(60-26-12-6-13-27-60)61-28-14-7-15-29-61)54(3)46-69(52)58-40-44-73-71(50-58)72-51-59(70-47-55(4)76(49-53(70)2)80(62-30-16-8-17-31-62)63-32-18-9-19-33-63)41-45-74(72)81(73)64-42-38-57(39-43-64)78-67-36-22-20-34-65(67)77(56-24-10-5-11-25-56)66-35-21-23-37-68(66)78/h5-51H,1-4H3
InChIKeyDBTCFFBWLVSWRW-UHFFFAOYSA-N
MW1038.35 g/mol
LogP21.93
Rot. Bonds11

About 4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline

4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline (PubChem CID 59306586) has the molecular formula C78H59N3 and a molecular weight of 1038.35 g/mol. Its IUPAC name is 4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline
PubChem CID59306586
Molecular FormulaC78H59N3
Molecular Weight1038.35 g/mol
Exact Mass1037.47
IUPAC Name4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline
SMILESCc1cc(N(c2ccccc2)c2ccccc2)c(C)cc1-c1ccc2c(c1)c1cc(-c3cc(C)c(N(c4ccccc4)c4ccccc4)cc3C)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C78H59N3/c1-52-48-75(79(60-26-12-6-13-27-60)61-28-14-7-15-29-61)54(3)46-69(52)58-40-44-73-71(50-58)72-51-59(70-47-55(4)76(49-53(70)2)80(62-30-16-8-17-31-62)63-32-18-9-19-33-63)41-45-74(72)81(73)64-42-38-57(39-43-64)78-67-36-22-20-34-65(67)77(56-24-10-5-11-25-56)66-35-21-23-37-68(66)78/h5-51H,1-4H3
InChIKeyDBTCFFBWLVSWRW-UHFFFAOYSA-N
XLogP21.93
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001038.35
LogP ≤ 521.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[4,5-dimethyl-2-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-4,5-dimethyl-N,N-diphenylaniline
CID 59439750
2-[6-[4,5-dimethyl-2-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-4,5-dimethyl-N,N-diphenylaniline;4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline;N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]aniline;3-methyl-5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 159958006
3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306789
N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline;N-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 158286296
N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-amine;N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-amine
CID 158598595
N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
CID 158152946
N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 71038259
9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine
CID 172537492
N-(3-methylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)naphthalen-1-amine
CID 118282615
N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 142704370
N-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]-2-methyl-N-phenylaniline
CID 143088757
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline?
The IUPAC name of 4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline (CID 59306586) is 4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline.
What is the SMILES notation for 4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline?
The canonical SMILES for 4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline is Cc1cc(N(c2ccccc2)c2ccccc2)c(C)cc1-c1ccc2c(c1)c1cc(-c3cc(C)c(N(c4ccccc4)c4ccccc4)cc3C)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline?
The InChIKey is DBTCFFBWLVSWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H59N3/c1-52-48-75(79(60-26-12-6-13-27-60)61-28-14-7-15-29-61)54(3)46-69(52)58-40-44-73-71(50-58)72-51-59(70-47-55(4)76(49-53(70)2)80(62-30-16-8-17-31-62)63-32-18-9-19-33-63)41-45-74(72)81(73)64-42-38-57(39-43-64)78-67-36-22-20-34-65(67)77(56-24-10-5-11-25-56)66-35-21-23-37-68(66)78/h5-51H,1-4H3.
What are the key properties of 4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline?
4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline has a molecular weight of 1038.35 g/mol, XLogP of 21.93, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline is sourced from PubChem (CID 59306586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).