7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole

C64H72Br2N2 — CID 153472880

IUPAC7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccccc3c3cc(-c4cc5c(c6ccccc46)c4ccccc4n5-c4cc(CCCCCC)c(Br)cc4CCCCCC)ccc32)c(CCCCCC)cc1Br
InChIInChI=1S/C64H72Br2N2/c1-5-9-13-17-27-46-42-61(48(40-56(46)65)29-19-15-11-7-3)67-58-35-25-23-32-51(58)55-39-45(37-38-60(55)67)54-44-63-64(52-33-22-21-31-50(52)54)53-34-24-26-36-59(53)68(63)62-43-47(28-18-14-10-6-2)57(66)41-49(62)30-20-16-12-8-4/h21-26,31-44H,5-20,27-30H2,1-4H3
InChIKeyBGJLYWWJJRRFRF-UHFFFAOYSA-N
MW1029.10 g/mol
LogP20.72
Rot. Bonds23

About 7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole

7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole (PubChem CID 153472880) has the molecular formula C64H72Br2N2 and a molecular weight of 1029.10 g/mol. Its IUPAC name is 7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole
PubChem CID153472880
Molecular FormulaC64H72Br2N2
Molecular Weight1029.10 g/mol
Exact Mass1026.41
IUPAC Name7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccccc3c3cc(-c4cc5c(c6ccccc46)c4ccccc4n5-c4cc(CCCCCC)c(Br)cc4CCCCCC)ccc32)c(CCCCCC)cc1Br
InChIInChI=1S/C64H72Br2N2/c1-5-9-13-17-27-46-42-61(48(40-56(46)65)29-19-15-11-7-3)67-58-35-25-23-32-51(58)55-39-45(37-38-60(55)67)54-44-63-64(52-33-22-21-31-50(52)54)53-34-24-26-36-59(53)68(63)62-43-47(28-18-14-10-6-2)57(66)41-49(62)30-20-16-12-8-4/h21-26,31-44H,5-20,27-30H2,1-4H3
InChIKeyBGJLYWWJJRRFRF-UHFFFAOYSA-N
XLogP20.72
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.10
LogP ≤ 520.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole
CID 153472882
7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole
CID 153472898
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
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-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
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
N-[4-[9-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 153472874
N-[4-[9-[2,5-dihexyl-4-(9-methyl-7,7-dioctyl-2-phenylindeno[2,1-b]carbazol-5-yl)phenyl]-7,7-dioctyl-2-phenylindeno[2,1-b]carbazol-5-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 153472803
7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole
CID 166084567
N-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline
CID 153472810
9-[4-[3-(4-carbazol-9-ylphenyl)-7-dodecylpyren-1-yl]phenyl]carbazole
CID 139380326
9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole?
The IUPAC name of 7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole (CID 153472880) is 7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole.
What is the SMILES notation for 7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole?
The canonical SMILES for 7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole is CCCCCCc1cc(-n2c3ccccc3c3cc(-c4cc5c(c6ccccc46)c4ccccc4n5-c4cc(CCCCCC)c(Br)cc4CCCCCC)ccc32)c(CCCCCC)cc1Br.
What is the InChIKey of 7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole?
The InChIKey is BGJLYWWJJRRFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H72Br2N2/c1-5-9-13-17-27-46-42-61(48(40-56(46)65)29-19-15-11-7-3)67-58-35-25-23-32-51(58)55-39-45(37-38-60(55)67)54-44-63-64(52-33-22-21-31-50(52)54)53-34-24-26-36-59(53)68(63)62-43-47(28-18-14-10-6-2)57(66)41-49(62)30-20-16-12-8-4/h21-26,31-44H,5-20,27-30H2,1-4H3.
What are the key properties of 7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole?
7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole has a molecular weight of 1029.10 g/mol, XLogP of 20.72, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole is sourced from PubChem (CID 153472880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).