2-bromo-9-(9-phenylcarbazol-2-yl)carbazole

C30H19BrN2 — CID 167514320

IUPAC2-bromo-9-(9-phenylcarbazol-2-yl)carbazole
SMILESBrc1ccc2c3ccccc3n(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2c1
InChIInChI=1S/C30H19BrN2/c31-20-14-16-25-23-10-5-7-13-28(23)33(29(25)18-20)22-15-17-26-24-11-4-6-12-27(24)32(30(26)19-22)21-8-2-1-3-9-21/h1-19H
InChIKeyMKYDWMAGHLPIHJ-UHFFFAOYSA-N
MW487.40 g/mol
LogP8.64
Rot. Bonds2

About 2-bromo-9-(9-phenylcarbazol-2-yl)carbazole

2-bromo-9-(9-phenylcarbazol-2-yl)carbazole (PubChem CID 167514320) has the molecular formula C30H19BrN2 and a molecular weight of 487.40 g/mol. Its IUPAC name is 2-bromo-9-(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

Compound Name2-bromo-9-(9-phenylcarbazol-2-yl)carbazole
PubChem CID167514320
Molecular FormulaC30H19BrN2
Molecular Weight487.40 g/mol
Exact Mass486.07
IUPAC Name2-bromo-9-(9-phenylcarbazol-2-yl)carbazole
SMILESBrc1ccc2c3ccccc3n(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2c1
InChIInChI=1S/C30H19BrN2/c31-20-14-16-25-23-10-5-7-13-28(23)33(29(25)18-20)22-15-17-26-24-11-4-6-12-27(24)32(30(26)19-22)21-8-2-1-3-9-21/h1-19H
InChIKeyMKYDWMAGHLPIHJ-UHFFFAOYSA-N
XLogP8.64
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.40
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
2-bromo-9-(3-phenylphenyl)carbazole
CID 118242889
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 172522364
2-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118587549
2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole
CID 158059699
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
2-bromo-9-(4-naphthalen-1-ylphenyl)carbazole
CID 130250089
2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118587629
7-bromo-5-phenylpyrido[4,3-b]indole
CID 129221574

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-(9-phenylcarbazol-2-yl)carbazole?
The IUPAC name of 2-bromo-9-(9-phenylcarbazol-2-yl)carbazole (CID 167514320) is 2-bromo-9-(9-phenylcarbazol-2-yl)carbazole.
What is the SMILES notation for 2-bromo-9-(9-phenylcarbazol-2-yl)carbazole?
The canonical SMILES for 2-bromo-9-(9-phenylcarbazol-2-yl)carbazole is Brc1ccc2c3ccccc3n(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2c1.
What is the InChIKey of 2-bromo-9-(9-phenylcarbazol-2-yl)carbazole?
The InChIKey is MKYDWMAGHLPIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19BrN2/c31-20-14-16-25-23-10-5-7-13-28(23)33(29(25)18-20)22-15-17-26-24-11-4-6-12-27(24)32(30(26)19-22)21-8-2-1-3-9-21/h1-19H.
What are the key properties of 2-bromo-9-(9-phenylcarbazol-2-yl)carbazole?
2-bromo-9-(9-phenylcarbazol-2-yl)carbazole has a molecular weight of 487.40 g/mol, XLogP of 8.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 167514320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).