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

C41H34Br2N2 — CID 142373865

IUPAC5-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccccc3c3c4ccccc4c(Br)cc32)c(C)cc1-n1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C41H34Br2N2/c1-3-4-5-6-13-27-23-38(26(2)22-39(27)44-35-18-11-9-15-30(35)33-24-28(42)20-21-37(33)44)45-36-19-12-10-17-32(36)41-31-16-8-7-14-29(31)34(43)25-40(41)45/h7-12,14-25H,3-6,13H2,1-2H3
InChIKeyAPCYGSHYUWORDV-UHFFFAOYSA-N
MW714.55 g/mol
LogP12.99
Rot. Bonds7

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

5-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole (PubChem CID 142373865) has the molecular formula C41H34Br2N2 and a molecular weight of 714.55 g/mol. Its IUPAC name is 5-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole.

Molecular Properties

Compound Name5-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole
PubChem CID142373865
Molecular FormulaC41H34Br2N2
Molecular Weight714.55 g/mol
Exact Mass712.11
IUPAC Name5-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccccc3c3c4ccccc4c(Br)cc32)c(C)cc1-n1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C41H34Br2N2/c1-3-4-5-6-13-27-23-38(26(2)22-39(27)44-35-18-11-9-15-30(35)33-24-28(42)20-21-37(33)44)45-36-19-12-10-17-32(36)41-31-16-8-7-14-29(31)34(43)25-40(41)45/h7-12,14-25H,3-6,13H2,1-2H3
InChIKeyAPCYGSHYUWORDV-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'}

Analyze 5-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole?
The IUPAC name of 5-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole (CID 142373865) is 5-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole.
What is the SMILES notation for 5-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole?
The canonical SMILES for 5-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole is CCCCCCc1cc(-n2c3ccccc3c3c4ccccc4c(Br)cc32)c(C)cc1-n1c2ccccc2c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole?
The InChIKey is APCYGSHYUWORDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34Br2N2/c1-3-4-5-6-13-27-23-38(26(2)22-39(27)44-35-18-11-9-15-30(35)33-24-28(42)20-21-37(33)44)45-36-19-12-10-17-32(36)41-31-16-8-7-14-29(31)34(43)25-40(41)45/h7-12,14-25H,3-6,13H2,1-2H3.
What are the key properties of 5-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole?
5-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 5-bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole is sourced from PubChem (CID 142373865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).