7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole

C64H72Br2N2 — CID 153472898

IUPAC7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cc(CCCCCC)c(Br)cc4CCCCCC)ccc32)c(CCCCCC)cc1Br
InChIInChI=1S/C64H72Br2N2/c1-5-9-13-17-26-48-43-62(50(41-56(48)65)28-19-15-11-7-3)67-58-32-24-23-31-53(58)54-39-46(34-36-59(54)67)47-35-37-60-55(40-47)64-52-30-22-21-25-45(52)33-38-61(64)68(60)63-44-49(27-18-14-10-6-2)57(66)42-51(63)29-20-16-12-8-4/h21-25,30-44H,5-20,26-29H2,1-4H3
InChIKeyZMFHSNCXZOWVPM-UHFFFAOYSA-N
MW1029.10 g/mol
LogP20.72
Rot. Bonds23

About 7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole

7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole (PubChem CID 153472898) has the molecular formula C64H72Br2N2 and a molecular weight of 1029.10 g/mol. Its IUPAC name is 7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole
PubChem CID153472898
Molecular FormulaC64H72Br2N2
Molecular Weight1029.10 g/mol
Exact Mass1026.41
IUPAC Name7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cc(CCCCCC)c(Br)cc4CCCCCC)ccc32)c(CCCCCC)cc1Br
InChIInChI=1S/C64H72Br2N2/c1-5-9-13-17-26-48-43-62(50(41-56(48)65)28-19-15-11-7-3)67-58-32-24-23-31-53(58)54-39-46(34-36-59(54)67)47-35-37-60-55(40-47)64-52-30-22-21-25-45(52)33-38-61(64)68(60)63-44-49(27-18-14-10-6-2)57(66)42-51(63)29-20-16-12-8-4/h21-25,30-44H,5-20,26-29H2,1-4H3
InChIKeyZMFHSNCXZOWVPM-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

7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole
CID 153472880
5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole
CID 153472882
7-methyl-10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazole
CID 138662750
3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 170132546
10-[3-(4-bromophenyl)phenyl]-7-naphthalen-1-ylbenzo[c]carbazole
CID 122595386
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
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
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
7-naphthalen-2-yl-10-(7-naphthalen-2-ylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 118919598
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline
CID 138661905

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole?
The IUPAC name of 7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole (CID 153472898) is 7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole.
What is the SMILES notation for 7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole?
The canonical SMILES for 7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole is CCCCCCc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cc(CCCCCC)c(Br)cc4CCCCCC)ccc32)c(CCCCCC)cc1Br.
What is the InChIKey of 7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole?
The InChIKey is ZMFHSNCXZOWVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H72Br2N2/c1-5-9-13-17-26-48-43-62(50(41-56(48)65)28-19-15-11-7-3)67-58-32-24-23-31-53(58)54-39-46(34-36-59(54)67)47-35-37-60-55(40-47)64-52-30-22-21-25-45(52)33-38-61(64)68(60)63-44-49(27-18-14-10-6-2)57(66)42-51(63)29-20-16-12-8-4/h21-25,30-44H,5-20,26-29H2,1-4H3.
What are the key properties of 7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole?
7-(4-bromo-2,5-dihexylphenyl)-10-[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)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole is sourced from PubChem (CID 153472898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).