7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole

C58H54Br2N2 — CID 142373853

IUPAC7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cc(C)c(Br)cc4CCCCCC)cc3c3c4ccccc4ccc32)c(C)cc1Br
InChIInChI=1S/C58H54Br2N2/c1-5-7-9-11-19-43-36-55(38(4)31-50(43)60)61-51-27-25-41(33-47(51)57-45-21-15-13-17-39(45)23-29-53(57)61)42-26-28-52-48(34-42)58-46-22-16-14-18-40(46)24-30-54(58)62(52)56-32-37(3)49(59)35-44(56)20-12-10-8-6-2/h13-18,21-36H,5-12,19-20H2,1-4H3
InChIKeyPBCOSFRXOPGECX-UHFFFAOYSA-N
MW938.89 g/mol
LogP18.24
Rot. Bonds13

About 7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole

7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole (PubChem CID 142373853) has the molecular formula C58H54Br2N2 and a molecular weight of 938.89 g/mol. Its IUPAC name is 7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
PubChem CID142373853
Molecular FormulaC58H54Br2N2
Molecular Weight938.89 g/mol
Exact Mass936.27
IUPAC Name7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cc(C)c(Br)cc4CCCCCC)cc3c3c4ccccc4ccc32)c(C)cc1Br
InChIInChI=1S/C58H54Br2N2/c1-5-7-9-11-19-43-36-55(38(4)31-50(43)60)61-51-27-25-41(33-47(51)57-45-21-15-13-17-39(45)23-29-53(57)61)42-26-28-52-48(34-42)58-46-22-16-14-18-40(46)24-30-54(58)62(52)56-32-37(3)49(59)35-44(56)20-12-10-8-6-2/h13-18,21-36H,5-12,19-20H2,1-4H3
InChIKeyPBCOSFRXOPGECX-UHFFFAOYSA-N
XLogP18.24
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.89
LogP ≤ 518.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4'-Bis(9-carbazolyl)-2,2'-dimethylbiphenyl
CID 22020378
3-Bromo-6,9-diphenylcarbazole
CID 57746295
3-Bromo-9-(2-naphthyl)carbazole
CID 68358431
3,6-Dibromo-9-(p-tolyl)-9H-carbazole
CID 53401077
9-(4-Biphenylyl)-3-bromocarbazole
CID 53401105
3,6-Dibromo-9-(2-naphthalenyl)-9H-carbazole
CID 58384088
10-Bromo-7-phenyl-7H-benzo[c]carbazole
CID 58410602
3-(3-Bromophenyl)-9-phenyl-9H-carbazole
CID 58871157
3-Bromo-9-(1-naphthyl)-9H-carbazole
CID 59561149
3-(2-Bromophenyl)-9-phenyl-9H-carbazole
CID 66929540
3,6-Dibromo-9-(m-tolyl)-9H-carbazole
CID 67328754
9-(3-Biphenylyl)-3-bromocarbazole
CID 89472056

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole?
The IUPAC name of 7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole (CID 142373853) is 7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole.
What is the SMILES notation for 7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole?
The canonical SMILES for 7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole is CCCCCCc1cc(-n2c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cc(C)c(Br)cc4CCCCCC)cc3c3c4ccccc4ccc32)c(C)cc1Br.
What is the InChIKey of 7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole?
The InChIKey is PBCOSFRXOPGECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H54Br2N2/c1-5-7-9-11-19-43-36-55(38(4)31-50(43)60)61-51-27-25-41(33-47(51)57-45-21-15-13-17-39(45)23-29-53(57)61)42-26-28-52-48(34-42)58-46-22-16-14-18-40(46)24-30-54(58)62(52)56-32-37(3)49(59)35-44(56)20-12-10-8-6-2/h13-18,21-36H,5-12,19-20H2,1-4H3.
What are the key properties of 7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole?
7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole has a molecular weight of 938.89 g/mol, XLogP of 18.24, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole is sourced from PubChem (CID 142373853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).