3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole

C36H22Br2N2 — CID 164756576

IUPAC3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole
SMILESBrc1cccc(Br)c1-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C36H22Br2N2/c37-30-13-8-14-31(38)36(30)23-17-19-34-28(21-23)26-11-4-7-16-33(26)40(34)25-18-20-35-29(22-25)27-12-5-6-15-32(27)39(35)24-9-2-1-3-10-24/h1-22H
InChIKeySSSNEASPIOOTLX-UHFFFAOYSA-N
MW642.39 g/mol
LogP11.07
Rot. Bonds3

About 3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole

3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 164756576) has the molecular formula C36H22Br2N2 and a molecular weight of 642.39 g/mol. Its IUPAC name is 3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole
PubChem CID164756576
Molecular FormulaC36H22Br2N2
Molecular Weight642.39 g/mol
Exact Mass640.01
IUPAC Name3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole
SMILESBrc1cccc(Br)c1-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C36H22Br2N2/c37-30-13-8-14-31(38)36(30)23-17-19-34-28(21-23)26-11-4-7-16-33(26)40(34)25-18-20-35-29(22-25)27-12-5-6-15-32(27)39(35)24-9-2-1-3-10-24/h1-22H
InChIKeySSSNEASPIOOTLX-UHFFFAOYSA-N
XLogP11.07
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.39
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole (CID 164756576) is 3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole is Brc1cccc(Br)c1-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is SSSNEASPIOOTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22Br2N2/c37-30-13-8-14-31(38)36(30)23-17-19-34-28(21-23)26-11-4-7-16-33(26)40(34)25-18-20-35-29(22-25)27-12-5-6-15-32(27)39(35)24-9-2-1-3-10-24/h1-22H.
What are the key properties of 3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole?
3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 642.39 g/mol, XLogP of 11.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 164756576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).