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

C50H35N3 — CID 59307119

IUPAC3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole
SMILESCc1ccccc1-n1c2ccccc2c2cc(-c3ccc4[nH]c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6C)cc5c4c3)ccc21
InChIInChI=1S/C50H35N3/c1-31-11-3-7-15-45(31)52-47-17-9-5-13-37(47)41-29-35(21-25-49(41)52)33-19-23-43-39(27-33)40-28-34(20-24-44(40)51-43)36-22-26-50-42(30-36)38-14-6-10-18-48(38)53(50)46-16-8-4-12-32(46)2/h3-30,51H,1-2H3
InChIKeyBYAGLCSBEDMVSL-UHFFFAOYSA-N
MW677.85 g/mol
LogP13.47
Rot. Bonds4

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

3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole (PubChem CID 59307119) has the molecular formula C50H35N3 and a molecular weight of 677.85 g/mol. Its IUPAC name is 3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole.

Molecular Properties

Compound Name3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole
PubChem CID59307119
Molecular FormulaC50H35N3
Molecular Weight677.85 g/mol
Exact Mass677.28
IUPAC Name3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole
SMILESCc1ccccc1-n1c2ccccc2c2cc(-c3ccc4[nH]c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6C)cc5c4c3)ccc21
InChIInChI=1S/C50H35N3/c1-31-11-3-7-15-45(31)52-47-17-9-5-13-37(47)41-29-35(21-25-49(41)52)33-19-23-43-39(27-33)40-28-34(20-24-44(40)51-43)36-22-26-50-42(30-36)38-14-6-10-18-48(38)53(50)46-16-8-4-12-32(46)2/h3-30,51H,1-2H3
InChIKeyBYAGLCSBEDMVSL-UHFFFAOYSA-N
XLogP13.47
TPSA25.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 513.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole
CID 59307035
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
3-(2-carbazol-9-ylphenyl)-9-(2-methylphenyl)carbazole
CID 164986167
3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole
CID 59306791
9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole
CID 59383702
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole
CID 59306810
3-(4-benzylphenyl)-9-(2-methylphenyl)carbazole
CID 157348806
3-carbazol-9-yl-6-(2,4,6-trimethylphenyl)-9H-carbazole
CID 146281218
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
(Z)-but-2-ene;3-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 145055834

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole?
The IUPAC name of 3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole (CID 59307119) is 3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole.
What is the SMILES notation for 3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole?
The canonical SMILES for 3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole is Cc1ccccc1-n1c2ccccc2c2cc(-c3ccc4[nH]c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6C)cc5c4c3)ccc21.
What is the InChIKey of 3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole?
The InChIKey is BYAGLCSBEDMVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3/c1-31-11-3-7-15-45(31)52-47-17-9-5-13-37(47)41-29-35(21-25-49(41)52)33-19-23-43-39(27-33)40-28-34(20-24-44(40)51-43)36-22-26-50-42(30-36)38-14-6-10-18-48(38)53(50)46-16-8-4-12-32(46)2/h3-30,51H,1-2H3.
What are the key properties of 3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole?
3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole has a molecular weight of 677.85 g/mol, XLogP of 13.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole is sourced from PubChem (CID 59307119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).