9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole

C41H25Br2N3 — CID 156664641

IUPAC9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole
SMILESBrc1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(Br)nc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C41H25Br2N3/c42-33-25-32(30-17-5-11-23-38(30)45-34-19-7-1-13-26(34)27-14-2-8-20-35(27)45)41(43)44-40(33)31-18-6-12-24-39(31)46-36-21-9-3-15-28(36)29-16-4-10-22-37(29)46/h1-25H
InChIKeyPDRTZOTXYFSPEB-UHFFFAOYSA-N
MW719.48 g/mol
LogP12.13
Rot. Bonds4

About 9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole

9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole (PubChem CID 156664641) has the molecular formula C41H25Br2N3 and a molecular weight of 719.48 g/mol. Its IUPAC name is 9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole
PubChem CID156664641
Molecular FormulaC41H25Br2N3
Molecular Weight719.48 g/mol
Exact Mass717.04
IUPAC Name9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole
SMILESBrc1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(Br)nc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C41H25Br2N3/c42-33-25-32(30-17-5-11-23-38(30)45-34-19-7-1-13-26(34)27-14-2-8-20-35(27)45)41(43)44-40(33)31-18-6-12-24-39(31)46-36-21-9-3-15-28(36)29-16-4-10-22-37(29)46/h1-25H
InChIKeyPDRTZOTXYFSPEB-UHFFFAOYSA-N
XLogP12.13
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.48
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
9-[2-(2-benzo[b]triphenylen-10-ylphenyl)phenyl]carbazole
CID 126633118
9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole
CID 138393255
9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 153287600
9-(3-bromonaphthalen-2-yl)carbazole
CID 166009716
9-[2-(2-carbazol-9-yl-4-phenylphenyl)phenyl]carbazole
CID 138513637
9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170940965
1-bromo-9-(2-carbazol-9-ylphenyl)fluoren-9-ol
CID 140910477
9-[2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)phenyl]carbazole
CID 121287690
2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide
CID 135252120
9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole
CID 169015179

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole (CID 156664641) is 9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole is Brc1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(Br)nc1-c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole?
The InChIKey is PDRTZOTXYFSPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25Br2N3/c42-33-25-32(30-17-5-11-23-38(30)45-34-19-7-1-13-26(34)27-14-2-8-20-35(27)45)41(43)44-40(33)31-18-6-12-24-39(31)46-36-21-9-3-15-28(36)29-16-4-10-22-37(29)46/h1-25H.
What are the key properties of 9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole?
9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole has a molecular weight of 719.48 g/mol, XLogP of 12.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2,5-dibromo-6-(2-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 156664641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).