3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole

C38H24Br2N2 — CID 159278200

IUPAC3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole
SMILESBrc1cc(Br)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)CC5)ccc32)c1
InChIInChI=1S/C38H24Br2N2/c39-27-20-28(40)22-30(21-27)42-36-8-4-2-6-32(36)34-19-26(13-16-38(34)42)25-12-15-37-33(18-25)31-5-1-3-7-35(31)41(37)29-14-11-23-9-10-24(23)17-29/h1-8,11-22H,9-10H2
InChIKeySAQCAAYLZFYCTB-UHFFFAOYSA-N
MW668.43 g/mol
LogP11.17
Rot. Bonds3

About 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole

3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole (PubChem CID 159278200) has the molecular formula C38H24Br2N2 and a molecular weight of 668.43 g/mol. Its IUPAC name is 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole.

Molecular Properties

Compound Name3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole
PubChem CID159278200
Molecular FormulaC38H24Br2N2
Molecular Weight668.43 g/mol
Exact Mass666.03
IUPAC Name3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole
SMILESBrc1cc(Br)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)CC5)ccc32)c1
InChIInChI=1S/C38H24Br2N2/c39-27-20-28(40)22-30(21-27)42-36-8-4-2-6-32(36)34-19-26(13-16-38(34)42)25-12-15-37-33(18-25)31-5-1-3-7-35(31)41(37)29-14-11-23-9-10-24(23)17-29/h1-8,11-22H,9-10H2
InChIKeySAQCAAYLZFYCTB-UHFFFAOYSA-N
XLogP11.17
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.43
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole
CID 90347889
9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole
CID 71062116
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-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
3-(3-bromo-5-phenylphenyl)-9-phenylcarbazole
CID 90030350
3-[3-bromo-5-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122472211
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
3-(3,5-dibromophenyl)-9-(1-phenylindol-5-yl)carbazole
CID 122472199
3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 90215090

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole?
The IUPAC name of 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole (CID 159278200) is 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole.
What is the SMILES notation for 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole?
The canonical SMILES for 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole is Brc1cc(Br)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)CC5)ccc32)c1.
What is the InChIKey of 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole?
The InChIKey is SAQCAAYLZFYCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24Br2N2/c39-27-20-28(40)22-30(21-27)42-36-8-4-2-6-32(36)34-19-26(13-16-38(34)42)25-12-15-37-33(18-25)31-5-1-3-7-35(31)41(37)29-14-11-23-9-10-24(23)17-29/h1-8,11-22H,9-10H2.
What are the key properties of 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole?
3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole has a molecular weight of 668.43 g/mol, XLogP of 11.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole is sourced from PubChem (CID 159278200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).