3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole

C52H39N3 — CID 59306803

IUPAC3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole
SMILESCc1cc(-c2ccc3[nH]c4ccc(-c5cc(C)c(C)cc5-n5c6ccccc6c6ccccc65)cc4c3c2)c(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C52H39N3/c1-31-25-41(51(27-33(31)3)54-47-17-9-5-13-37(47)38-14-6-10-18-48(38)54)35-21-23-45-43(29-35)44-30-36(22-24-46(44)53-45)42-26-32(2)34(4)28-52(42)55-49-19-11-7-15-39(49)40-16-8-12-20-50(40)55/h5-30,53H,1-4H3
InChIKeyBKEMQOJJZNRGNY-UHFFFAOYSA-N
MW705.91 g/mol
LogP14.08
Rot. Bonds4

About 3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole

3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole (PubChem CID 59306803) has the molecular formula C52H39N3 and a molecular weight of 705.91 g/mol. Its IUPAC name is 3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole.

Molecular Properties

Compound Name3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole
PubChem CID59306803
Molecular FormulaC52H39N3
Molecular Weight705.91 g/mol
Exact Mass705.31
IUPAC Name3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole
SMILESCc1cc(-c2ccc3[nH]c4ccc(-c5cc(C)c(C)cc5-n5c6ccccc6c6ccccc65)cc4c3c2)c(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C52H39N3/c1-31-25-41(51(27-33(31)3)54-47-17-9-5-13-37(47)38-14-6-10-18-48(38)54)35-21-23-45-43(29-35)44-30-36(22-24-46(44)53-45)42-26-32(2)34(4)28-52(42)55-49-19-11-7-15-39(49)40-16-8-12-20-50(40)55/h5-30,53H,1-4H3
InChIKeyBKEMQOJJZNRGNY-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(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole
CID 59306810
3,6-bis(3-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole
CID 118369111
3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole
CID 59307119
9-(4-methyl-2,5-diphenylphenyl)carbazole
CID 167659525
9-(4-carbazol-9-yl-2-methyl-5-phenylphenyl)carbazole
CID 118944224
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole
CID 59307035
3-carbazol-9-yl-6-(2,4,6-trimethylphenyl)-9H-carbazole
CID 146281218
3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole
CID 144661628
3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole
CID 59306791
3-(2-carbazol-9-ylphenyl)-9-(2-methylphenyl)carbazole
CID 164986167
2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 176837359

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole?
The IUPAC name of 3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole (CID 59306803) is 3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole.
What is the SMILES notation for 3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole?
The canonical SMILES for 3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole is Cc1cc(-c2ccc3[nH]c4ccc(-c5cc(C)c(C)cc5-n5c6ccccc6c6ccccc65)cc4c3c2)c(-n2c3ccccc3c3ccccc32)cc1C.
What is the InChIKey of 3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole?
The InChIKey is BKEMQOJJZNRGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N3/c1-31-25-41(51(27-33(31)3)54-47-17-9-5-13-37(47)38-14-6-10-18-48(38)54)35-21-23-45-43(29-35)44-30-36(22-24-46(44)53-45)42-26-32(2)34(4)28-52(42)55-49-19-11-7-15-39(49)40-16-8-12-20-50(40)55/h5-30,53H,1-4H3.
What are the key properties of 3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole?
3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-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 3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole is sourced from PubChem (CID 59306803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).