4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole

C30H19BrN2O2 — CID 178110484

IUPAC4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole
SMILESO=[N+]([O-])c1ccc(Br)cc1-c1cccc2c1c1ccccc1n2-c1ccccc1-c1ccccc1
InChIInChI=1S/C30H19BrN2O2/c31-21-17-18-28(33(34)35)25(19-21)23-13-8-16-29-30(23)24-12-5-7-15-27(24)32(29)26-14-6-4-11-22(26)20-9-2-1-3-10-20/h1-19H
InChIKeyYKVAOPGWJSDUPL-UHFFFAOYSA-N
MW519.40 g/mol
LogP8.79
Rot. Bonds4

About 4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole

4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole (PubChem CID 178110484) has the molecular formula C30H19BrN2O2 and a molecular weight of 519.40 g/mol. Its IUPAC name is 4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole
PubChem CID178110484
Molecular FormulaC30H19BrN2O2
Molecular Weight519.40 g/mol
Exact Mass518.06
IUPAC Name4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole
SMILESO=[N+]([O-])c1ccc(Br)cc1-c1cccc2c1c1ccccc1n2-c1ccccc1-c1ccccc1
InChIInChI=1S/C30H19BrN2O2/c31-21-17-18-28(33(34)35)25(19-21)23-13-8-16-29-30(23)24-12-5-7-15-27(24)32(29)26-14-6-4-11-22(26)20-9-2-1-3-10-20/h1-19H
InChIKeyYKVAOPGWJSDUPL-UHFFFAOYSA-N
XLogP8.79
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.40
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-2-nitrophenyl)-9-triphenylen-2-ylcarbazole
CID 178110346
9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole
CID 140923114
4-bromo-1-nitro-2-(4-phenylphenyl)benzene
CID 144601418
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
4-(8-nitronaphthalen-1-yl)-9-phenylcarbazole
CID 142725520
6,12-bis(5-bromo-2-nitrophenyl)chrysene
CID 87414674
4-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole
CID 170093407
4-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454723
3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 163652823
9,14-bis[2-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 177063693
9-[2-(5,9-diphenylcarbazol-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824343

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole?
The IUPAC name of 4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole (CID 178110484) is 4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole is O=[N+]([O-])c1ccc(Br)cc1-c1cccc2c1c1ccccc1n2-c1ccccc1-c1ccccc1.
What is the InChIKey of 4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole?
The InChIKey is YKVAOPGWJSDUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19BrN2O2/c31-21-17-18-28(33(34)35)25(19-21)23-13-8-16-29-30(23)24-12-5-7-15-27(24)32(29)26-14-6-4-11-22(26)20-9-2-1-3-10-20/h1-19H.
What are the key properties of 4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole?
4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole has a molecular weight of 519.40 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 178110484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).