3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole

C52H39N3 — CID 59307035

IUPAC3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole
SMILESCc1ccc2c(c1)c1cc(-c3ccc4[nH]c5ccc(-c6ccc7c(c6)c6cc(C)ccc6n7-c6ccccc6C)cc5c4c3)ccc1n2-c1ccccc1C
InChIInChI=1S/C52H39N3/c1-31-13-21-49-41(25-31)43-29-37(17-23-51(43)54(49)47-11-7-5-9-33(47)3)35-15-19-45-39(27-35)40-28-36(16-20-46(40)53-45)38-18-24-52-44(30-38)42-26-32(2)14-22-50(42)55(52)48-12-8-6-10-34(48)4/h5-30,53H,1-4H3
InChIKeyHOXMXZLSCJGBBE-UHFFFAOYSA-N
MW705.91 g/mol
LogP14.08
Rot. Bonds4

About 3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole

3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole (PubChem CID 59307035) has the molecular formula C52H39N3 and a molecular weight of 705.91 g/mol. Its IUPAC name is 3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole.

Molecular Properties

Compound Name3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole
PubChem CID59307035
Molecular FormulaC52H39N3
Molecular Weight705.91 g/mol
Exact Mass705.31
IUPAC Name3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole
SMILESCc1ccc2c(c1)c1cc(-c3ccc4[nH]c5ccc(-c6ccc7c(c6)c6cc(C)ccc6n7-c6ccccc6C)cc5c4c3)ccc1n2-c1ccccc1C
InChIInChI=1S/C52H39N3/c1-31-13-21-49-41(25-31)43-29-37(17-23-51(43)54(49)47-11-7-5-9-33(47)3)35-15-19-45-39(27-35)40-28-36(16-20-46(40)53-45)38-18-24-52-44(30-38)42-26-32(2)14-22-50(42)55(52)48-12-8-6-10-34(48)4/h5-30,53H,1-4H3
InChIKeyHOXMXZLSCJGBBE-UHFFFAOYSA-N
XLogP14.08
TPSA25.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.91
LogP ≤ 514.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole
CID 59307119
3-methyl-9-(2-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-methyl-9-(4-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 161215741
3,6-bis(3-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole
CID 118369111
3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole
CID 59306803
benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
CID 143905034
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(4-methylphenyl)-3,6-diphenylcarbazole;9-(2-methylphenyl)-3-phenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 161360746
3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole
CID 59306791
3,6-dimethyl-9H-carbazole
CID 144942624
3-(2-carbazol-9-ylphenyl)-9-(2-methylphenyl)carbazole
CID 164986167
9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole
CID 59383702
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole?
The IUPAC name of 3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole (CID 59307035) is 3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole.
What is the SMILES notation for 3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole?
The canonical SMILES for 3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole is Cc1ccc2c(c1)c1cc(-c3ccc4[nH]c5ccc(-c6ccc7c(c6)c6cc(C)ccc6n7-c6ccccc6C)cc5c4c3)ccc1n2-c1ccccc1C.
What is the InChIKey of 3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole?
The InChIKey is HOXMXZLSCJGBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N3/c1-31-13-21-49-41(25-31)43-29-37(17-23-51(43)54(49)47-11-7-5-9-33(47)3)35-15-19-45-39(27-35)40-28-36(16-20-46(40)53-45)38-18-24-52-44(30-38)42-26-32(2)14-22-50(42)55(52)48-12-8-6-10-34(48)4/h5-30,53H,1-4H3.
What are the key properties of 3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole?
3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole has a molecular weight of 705.91 g/mol, XLogP of 14.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole is sourced from PubChem (CID 59307035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).