3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C58H40N2 — CID 59306789

IUPAC3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C58H40N2/c1-37-35-56(60-53-26-14-10-18-43(53)44-19-11-15-27-54(44)60)38(2)34-50(37)41-30-33-55-51(36-41)45-20-12-13-25-52(45)59(55)42-31-28-40(29-32-42)58-48-23-8-6-21-46(48)57(39-16-4-3-5-17-39)47-22-7-9-24-49(47)58/h3-36H,1-2H3
InChIKeyCRGGRYPXZKTIMS-UHFFFAOYSA-N
MW764.97 g/mol
LogP15.81
Rot. Bonds5

About 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 59306789) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
PubChem CID59306789
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C58H40N2/c1-37-35-56(60-53-26-14-10-18-43(53)44-19-11-15-27-54(44)60)38(2)34-50(37)41-30-33-55-51(36-41)45-20-12-13-25-52(45)59(55)42-31-28-40(29-32-42)58-48-23-8-6-21-46(48)57(39-16-4-3-5-17-39)47-22-7-9-24-49(47)58/h3-36H,1-2H3
InChIKeyCRGGRYPXZKTIMS-UHFFFAOYSA-N
XLogP15.81
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[6-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,10-diphenylanthracen-2-yl]-2,5-dimethylphenyl]carbazole;9-[4-[6-(4-carbazol-9-ylphenyl)-9,10-bis(4-phenanthren-1-ylphenyl)anthracen-2-yl]phenyl]carbazole
CID 160718540
3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole
CID 163710464
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
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
3-methyl-9-(2-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-methyl-9-(4-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 161215741
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,5-dimethylphenyl]carbazole
CID 126730426
9-phenyl-3-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 146414179
9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine
CID 159761391
methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 158753053
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158633984
3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157052187

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 59306789) is 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is Cc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The InChIKey is CRGGRYPXZKTIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-37-35-56(60-53-26-14-10-18-43(53)44-19-11-15-27-54(44)60)38(2)34-50(37)41-30-33-55-51(36-41)45-20-12-13-25-52(45)59(55)42-31-28-40(29-32-42)58-48-23-8-6-21-46(48)57(39-16-4-3-5-17-39)47-22-7-9-24-49(47)58/h3-36H,1-2H3.
What are the key properties of 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 764.97 g/mol, XLogP of 15.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 59306789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).