10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole

C41H34Br2N2 — CID 142373851

IUPAC10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccc(Br)cc3c3c4ccccc4ccc32)c(C)cc1-n1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C41H34Br2N2/c1-3-4-5-6-12-28-23-39(26(2)22-40(28)44-35-15-10-9-14-32(35)33-24-29(42)17-20-36(33)44)45-37-21-18-30(43)25-34(37)41-31-13-8-7-11-27(31)16-19-38(41)45/h7-11,13-25H,3-6,12H2,1-2H3
InChIKeyZMGVDHXCLIBFGP-UHFFFAOYSA-N
MW714.55 g/mol
LogP12.99
Rot. Bonds7

About 10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole

10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole (PubChem CID 142373851) has the molecular formula C41H34Br2N2 and a molecular weight of 714.55 g/mol. Its IUPAC name is 10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole.

Molecular Properties

Compound Name10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole
PubChem CID142373851
Molecular FormulaC41H34Br2N2
Molecular Weight714.55 g/mol
Exact Mass712.11
IUPAC Name10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccc(Br)cc3c3c4ccccc4ccc32)c(C)cc1-n1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C41H34Br2N2/c1-3-4-5-6-12-28-23-39(26(2)22-40(28)44-35-15-10-9-14-32(35)33-24-29(42)17-20-36(33)44)45-37-21-18-30(43)25-34(37)41-31-13-8-7-11-27(31)16-19-38(41)45/h7-11,13-25H,3-6,12H2,1-2H3
InChIKeyZMGVDHXCLIBFGP-UHFFFAOYSA-N
XLogP12.99
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.55
LogP ≤ 512.99
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

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
3,6-Dibromo-9-(m-tolyl)-9H-carbazole
CID 67328754
4,4'-[3,3'-bi-9H-carbazole]-9,9'-diylbis[N,N-diphenyl-benzenamine]
CID 70659085
9-(3-Biphenylyl)-3-bromocarbazole
CID 89472056

Frequently Asked Questions

What is the IUPAC name of 10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole?
The IUPAC name of 10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole (CID 142373851) is 10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole.
What is the SMILES notation for 10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole?
The canonical SMILES for 10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole is CCCCCCc1cc(-n2c3ccc(Br)cc3c3c4ccccc4ccc32)c(C)cc1-n1c2ccccc2c2cc(Br)ccc21.
What is the InChIKey of 10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole?
The InChIKey is ZMGVDHXCLIBFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34Br2N2/c1-3-4-5-6-12-28-23-39(26(2)22-40(28)44-35-15-10-9-14-32(35)33-24-29(42)17-20-36(33)44)45-37-21-18-30(43)25-34(37)41-31-13-8-7-11-27(31)16-19-38(41)45/h7-11,13-25H,3-6,12H2,1-2H3.
What are the key properties of 10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole?
10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole has a molecular weight of 714.55 g/mol, XLogP of 12.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole is sourced from PubChem (CID 142373851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).