3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C76H51N3 — CID 59307155

IUPAC3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCc1cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(-n5c6ccccc6c6ccccc65)c4)ccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C76H51N3/c1-48-40-54(44-57(42-48)78-69-28-14-10-20-59(69)60-21-11-15-29-70(60)78)52-34-38-73-67(46-52)68-47-53(55-41-49(2)43-58(45-55)79-71-30-16-12-22-61(71)62-23-13-17-31-72(62)79)35-39-74(68)77(73)56-36-32-51(33-37-56)76-65-26-8-6-24-63(65)75(50-18-4-3-5-19-50)64-25-7-9-27-66(64)76/h3-47H,1-2H3
InChIKeyZLSIZQPBDOVKHE-UHFFFAOYSA-N
MW1006.27 g/mol
LogP20.57
Rot. Bonds7

About 3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 59307155) has the molecular formula C76H51N3 and a molecular weight of 1006.27 g/mol. Its IUPAC name is 3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
PubChem CID59307155
Molecular FormulaC76H51N3
Molecular Weight1006.27 g/mol
Exact Mass1005.41
IUPAC Name3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCc1cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(-n5c6ccccc6c6ccccc65)c4)ccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C76H51N3/c1-48-40-54(44-57(42-48)78-69-28-14-10-20-59(69)60-21-11-15-29-70(60)78)52-34-38-73-67(46-52)68-47-53(55-41-49(2)43-58(45-55)79-71-30-16-12-22-61(71)62-23-13-17-31-72(62)79)35-39-74(68)77(73)56-36-32-51(33-37-56)76-65-26-8-6-24-63(65)75(50-18-4-3-5-19-50)64-25-7-9-27-66(64)76/h3-47H,1-2H3
InChIKeyZLSIZQPBDOVKHE-UHFFFAOYSA-N
XLogP20.57
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001006.27
LogP ≤ 520.57
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

3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370775
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 162257704
3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 88971302
3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-[9-(3,5-dimethylphenyl)carbazol-2-yl]-9-[4-(3,5-dimethylphenyl)phenyl]carbazole;2-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
CID 159256804
3-[9-[3-(3,5-diphenylphenyl)-5-methylphenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144560195
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-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 123628919
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
9-(3-carbazol-9-yl-5-methylphenyl)-3,6-diphenylcarbazole
CID 145158092
9-[4-(3,5-dimethylphenyl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 162173783
3-[9-[3-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370607

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 59307155) is 3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is Cc1cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(-n5c6ccccc6c6ccccc65)c4)ccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The InChIKey is ZLSIZQPBDOVKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H51N3/c1-48-40-54(44-57(42-48)78-69-28-14-10-20-59(69)60-21-11-15-29-70(60)78)52-34-38-73-67(46-52)68-47-53(55-41-49(2)43-58(45-55)79-71-30-16-12-22-61(71)62-23-13-17-31-72(62)79)35-39-74(68)77(73)56-36-32-51(33-37-56)76-65-26-8-6-24-63(65)75(50-18-4-3-5-19-50)64-25-7-9-27-66(64)76/h3-47H,1-2H3.
What are the key properties of 3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 1006.27 g/mol, XLogP of 20.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 59307155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).