3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole

C37H24BrN — CID 89492367

IUPAC3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole
SMILESCc1ccc2c(c1)c1cc(-c3ccc(Br)cc3)ccc1n2-c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C37H24BrN/c1-23-10-18-36-34(20-23)35-21-25(24-11-14-26(38)15-12-24)13-19-37(35)39(36)27-16-17-32-30-8-3-2-6-28(30)29-7-4-5-9-31(29)33(32)22-27/h2-22H,1H3
InChIKeyVCVSDSXHVPCSJC-UHFFFAOYSA-N
MW562.51 g/mol
LogP10.98
Rot. Bonds2

About 3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole

3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole (PubChem CID 89492367) has the molecular formula C37H24BrN and a molecular weight of 562.51 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole
PubChem CID89492367
Molecular FormulaC37H24BrN
Molecular Weight562.51 g/mol
Exact Mass561.11
IUPAC Name3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole
SMILESCc1ccc2c(c1)c1cc(-c3ccc(Br)cc3)ccc1n2-c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C37H24BrN/c1-23-10-18-36-34(20-23)35-21-25(24-11-14-26(38)15-12-24)13-19-37(35)39(36)27-16-17-32-30-8-3-2-6-28(30)29-7-4-5-9-31(29)33(32)22-27/h2-22H,1H3
InChIKeyVCVSDSXHVPCSJC-UHFFFAOYSA-N
XLogP10.98
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.51
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 118330173
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
4-[3-(4-bromophenyl)carbazol-9-yl]aniline
CID 59282033
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
3-carbazol-9-yl-9-[4-[4-(3-methylphenyl)phenyl]phenyl]carbazole
CID 170198467
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
3-[3-(4-bromophenyl)-5-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 118289381

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole?
The IUPAC name of 3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole (CID 89492367) is 3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole.
What is the SMILES notation for 3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole?
The canonical SMILES for 3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole is Cc1ccc2c(c1)c1cc(-c3ccc(Br)cc3)ccc1n2-c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole?
The InChIKey is VCVSDSXHVPCSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24BrN/c1-23-10-18-36-34(20-23)35-21-25(24-11-14-26(38)15-12-24)13-19-37(35)39(36)27-16-17-32-30-8-3-2-6-28(30)29-7-4-5-9-31(29)33(32)22-27/h2-22H,1H3.
What are the key properties of 3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole?
3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole has a molecular weight of 562.51 g/mol, XLogP of 10.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 89492367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).