3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole

C55H45N3 — CID 162480016

IUPAC3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C)cc4c4cc(C)ccc43)ccc1n2-c1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C55H45N3/c1-34-12-22-49-43(28-34)44-29-35(2)13-23-50(44)57(49)41-20-26-53-47(32-41)48-33-42(58-51-24-14-36(3)30-45(51)46-31-37(4)15-25-52(46)58)21-27-54(48)56(53)40-18-16-39(17-19-40)55(5,6)38-10-8-7-9-11-38/h7-33H,1-6H3
InChIKeyBHMDBMOOWUYJJG-UHFFFAOYSA-N
MW747.99 g/mol
LogP14.54
Rot. Bonds5

About 3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole

3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole (PubChem CID 162480016) has the molecular formula C55H45N3 and a molecular weight of 747.99 g/mol. Its IUPAC name is 3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole
PubChem CID162480016
Molecular FormulaC55H45N3
Molecular Weight747.99 g/mol
Exact Mass747.36
IUPAC Name3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C)cc4c4cc(C)ccc43)ccc1n2-c1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C55H45N3/c1-34-12-22-49-43(28-34)44-29-35(2)13-23-50(44)57(49)41-20-26-53-47(32-41)48-33-42(58-51-24-14-36(3)30-45(51)46-31-37(4)15-25-52(46)58)21-27-54(48)56(53)40-18-16-39(17-19-40)55(5,6)38-10-8-7-9-11-38/h7-33H,1-6H3
InChIKeyBHMDBMOOWUYJJG-UHFFFAOYSA-N
XLogP14.54
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.99
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 162480019
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole
CID 176617143
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]carbazole
CID 162480082
3-(9-phenylcarbazol-3-yl)-9-[4-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazole
CID 176617175
9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole
CID 163660856
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
CID 88930604
CID 88930604
3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole
CID 91019320
9-[3,5-bis(3-tert-butyl-6-methylcarbazol-9-yl)phenyl]-3-tert-butyl-6-methylcarbazole
CID 59399788

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole?
The IUPAC name of 3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole (CID 162480016) is 3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole?
The canonical SMILES for 3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C)cc4c4cc(C)ccc43)ccc1n2-c1ccc(C(C)(C)c2ccccc2)cc1.
What is the InChIKey of 3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole?
The InChIKey is BHMDBMOOWUYJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45N3/c1-34-12-22-49-43(28-34)44-29-35(2)13-23-50(44)57(49)41-20-26-53-47(32-41)48-33-42(58-51-24-14-36(3)30-45(51)46-31-37(4)15-25-52(46)58)21-27-54(48)56(53)40-18-16-39(17-19-40)55(5,6)38-10-8-7-9-11-38/h7-33H,1-6H3.
What are the key properties of 3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole?
3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole has a molecular weight of 747.99 g/mol, XLogP of 14.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole is sourced from PubChem (CID 162480016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).