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

C52H39N3 — CID 59306810

IUPAC3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole
SMILESCc1c(-c2ccc3[nH]c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c(C)c5C)cc4c3c2)ccc(-n2c3ccccc3c3ccccc32)c1C
InChIInChI=1S/C52H39N3/c1-31-33(3)47(54-49-17-9-5-13-39(49)40-14-6-10-18-50(40)54)27-23-37(31)35-21-25-45-43(29-35)44-30-36(22-26-46(44)53-45)38-24-28-48(34(4)32(38)2)55-51-19-11-7-15-41(51)42-16-8-12-20-52(42)55/h5-30,53H,1-4H3
InChIKeyQEXAKVPCJDSYKO-UHFFFAOYSA-N
MW705.91 g/mol
LogP14.08
Rot. Bonds4

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

3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole (PubChem CID 59306810) has the molecular formula C52H39N3 and a molecular weight of 705.91 g/mol. Its IUPAC name is 3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole.

Molecular Properties

Compound Name3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole
PubChem CID59306810
Molecular FormulaC52H39N3
Molecular Weight705.91 g/mol
Exact Mass705.31
IUPAC Name3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole
SMILESCc1c(-c2ccc3[nH]c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c(C)c5C)cc4c3c2)ccc(-n2c3ccccc3c3ccccc32)c1C
InChIInChI=1S/C52H39N3/c1-31-33(3)47(54-49-17-9-5-13-39(49)40-14-6-10-18-50(40)54)27-23-37(31)35-21-25-45-43(29-35)44-30-36(22-26-46(44)53-45)38-24-28-48(34(4)32(38)2)55-51-19-11-7-15-41(51)42-16-8-12-20-52(42)55/h5-30,53H,1-4H3
InChIKeyQEXAKVPCJDSYKO-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(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole
CID 59306803
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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole
CID 130353502
3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole;3,6-bis(4-carbazol-9-yl-2,5-dimethylphenyl)-9H-carbazole;9-[4-[6-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis(2-methylpropyl)carbazole;9-[4-[6-[4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 157317199
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole
CID 59306791
3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole
CID 145025232
3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole
CID 59307035
1-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 59307184
3-carbazol-9-yl-6-(2,4,6-trimethylphenyl)-9H-carbazole
CID 146281218
3-tert-butyl-6-(4-carbazol-9-ylphenyl)-9H-carbazole;3-(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole;3-(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole;3-(3-carbazol-9-yl-5-methylphenyl)-9H-carbazole;3-(2-carbazol-9-ylphenyl)-9H-carbazole;3-(3-carbazol-9-ylphenyl)-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-fluoro-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-(trifluoromethyl)-9H-carbazole
CID 158622056

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole?
The IUPAC name of 3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole (CID 59306810) is 3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole.
What is the SMILES notation for 3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole?
The canonical SMILES for 3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole is Cc1c(-c2ccc3[nH]c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c(C)c5C)cc4c3c2)ccc(-n2c3ccccc3c3ccccc32)c1C.
What is the InChIKey of 3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole?
The InChIKey is QEXAKVPCJDSYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N3/c1-31-33(3)47(54-49-17-9-5-13-39(49)40-14-6-10-18-50(40)54)27-23-37(31)35-21-25-45-43(29-35)44-30-36(22-26-46(44)53-45)38-24-28-48(34(4)32(38)2)55-51-19-11-7-15-41(51)42-16-8-12-20-52(42)55/h5-30,53H,1-4H3.
What are the key properties of 3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole?
3,6-bis(4-carbazol-9-yl-2,3-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(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole is sourced from PubChem (CID 59306810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).