5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole

C34H37Br2N — CID 153472882

IUPAC5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccccc3c3c4ccccc4c(Br)cc32)c(CCCCCC)cc1Br
InChIInChI=1S/C34H37Br2N/c1-3-5-7-9-15-24-22-32(25(21-29(24)35)16-10-8-6-4-2)37-31-20-14-13-19-28(31)34-27-18-12-11-17-26(27)30(36)23-33(34)37/h11-14,17-23H,3-10,15-16H2,1-2H3
InChIKeyYOKPLDLTZLILAI-UHFFFAOYSA-N
MW619.49 g/mol
LogP11.71
Rot. Bonds11

About 5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole

5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole (PubChem CID 153472882) has the molecular formula C34H37Br2N and a molecular weight of 619.49 g/mol. Its IUPAC name is 5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole.

Molecular Properties

Compound Name5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole
PubChem CID153472882
Molecular FormulaC34H37Br2N
Molecular Weight619.49 g/mol
Exact Mass617.13
IUPAC Name5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccccc3c3c4ccccc4c(Br)cc32)c(CCCCCC)cc1Br
InChIInChI=1S/C34H37Br2N/c1-3-5-7-9-15-24-22-32(25(21-29(24)35)16-10-8-6-4-2)37-31-20-14-13-19-28(31)34-27-18-12-11-17-26(27)30(36)23-33(34)37/h11-14,17-23H,3-10,15-16H2,1-2H3
InChIKeyYOKPLDLTZLILAI-UHFFFAOYSA-N
XLogP11.71
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.49
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole
CID 153472880
7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole
CID 153472898
7-[2,5-dihexyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
CID 153472897
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
4-bromo-1-[4-(bromomethyl)-2-octylnaphthalen-1-yl]-2-octylnaphthalene
CID 126636159
N-[4-[5-(4-bromo-2,5-dihexylphenyl)-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-9-yl]phenyl]-N-(4-bromophenyl)-4-(4-butylphenyl)aniline
CID 153472811
CID 177025293
CID 177025293
1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
CID 169036195
3-decyl-1-methylindole
CID 10802084
1-bromo-4,5-dioctylnaphthalene
CID 174490100
4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene
CID 58130605
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole?
The IUPAC name of 5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole (CID 153472882) is 5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole.
What is the SMILES notation for 5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole?
The canonical SMILES for 5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole is CCCCCCc1cc(-n2c3ccccc3c3c4ccccc4c(Br)cc32)c(CCCCCC)cc1Br.
What is the InChIKey of 5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole?
The InChIKey is YOKPLDLTZLILAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37Br2N/c1-3-5-7-9-15-24-22-32(25(21-29(24)35)16-10-8-6-4-2)37-31-20-14-13-19-28(31)34-27-18-12-11-17-26(27)30(36)23-33(34)37/h11-14,17-23H,3-10,15-16H2,1-2H3.
What are the key properties of 5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole?
5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole has a molecular weight of 619.49 g/mol, XLogP of 11.71, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole is sourced from PubChem (CID 153472882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).