9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole

C60H34N8O8 — CID 140923114

IUPAC9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4cc(-n5c6ccccc6c6ccccc65)c([N+](=O)[O-])cc4[N+](=O)[O-])cccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C60H34N8O8/c69-65(70)55-33-57(67(73)74)53(31-51(55)61-43-23-7-1-15-35(43)36-16-2-8-24-44(36)61)63-47-27-11-5-19-41(47)59-39(21-13-29-49(59)63)40-22-14-30-50-60(40)42-20-6-12-28-48(42)64(50)54-32-52(56(66(71)72)34-58(54)68(75)76)62-45-25-9-3-17-37(45)38-18-4-10-26-46(38)62/h1-34H
InChIKeyOUOCZFRWYIPRLC-UHFFFAOYSA-N
MW994.98 g/mol
LogP15.37
Rot. Bonds9

About 9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole

9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole (PubChem CID 140923114) has the molecular formula C60H34N8O8 and a molecular weight of 994.98 g/mol. Its IUPAC name is 9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole.

Molecular Properties

Compound Name9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole
PubChem CID140923114
Molecular FormulaC60H34N8O8
Molecular Weight994.98 g/mol
Exact Mass994.25
IUPAC Name9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4cc(-n5c6ccccc6c6ccccc65)c([N+](=O)[O-])cc4[N+](=O)[O-])cccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C60H34N8O8/c69-65(70)55-33-57(67(73)74)53(31-51(55)61-43-23-7-1-15-35(43)36-16-2-8-24-44(36)61)63-47-27-11-5-19-41(47)59-39(21-13-29-49(59)63)40-22-14-30-50-60(40)42-20-6-12-28-48(42)64(50)54-32-52(56(66(71)72)34-58(54)68(75)76)62-45-25-9-3-17-37(45)38-18-4-10-26-46(38)62/h1-34H
InChIKeyOUOCZFRWYIPRLC-UHFFFAOYSA-N
XLogP15.37
TPSA192.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500994.98
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 132915570
4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole
CID 178110484
4-(8-nitronaphthalen-1-yl)-9-phenylcarbazole
CID 142725520
4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole
CID 145376051
4-(5-bromo-2-nitrophenyl)-9-triphenylen-2-ylcarbazole
CID 178110346
(4-carbazol-9-yl-3-nitrophenyl)boronic acid
CID 140776277
4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole
CID 118197251
4,5-di(carbazol-9-yl)-2-nitrobenzonitrile
CID 134217290
4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole
CID 142290576
9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole
CID 121299787
9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole
CID 140923110
4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole
CID 140760363

Frequently Asked Questions

What is the IUPAC name of 9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole?
The IUPAC name of 9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole (CID 140923114) is 9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole.
What is the SMILES notation for 9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole?
The canonical SMILES for 9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole is O=[N+]([O-])c1cc([N+](=O)[O-])c(-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4cc(-n5c6ccccc6c6ccccc65)c([N+](=O)[O-])cc4[N+](=O)[O-])cccc32)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole?
The InChIKey is OUOCZFRWYIPRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N8O8/c69-65(70)55-33-57(67(73)74)53(31-51(55)61-43-23-7-1-15-35(43)36-16-2-8-24-44(36)61)63-47-27-11-5-19-41(47)59-39(21-13-29-49(59)63)40-22-14-30-50-60(40)42-20-6-12-28-48(42)64(50)54-32-52(56(66(71)72)34-58(54)68(75)76)62-45-25-9-3-17-37(45)38-18-4-10-26-46(38)62/h1-34H.
What are the key properties of 9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole?
9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole has a molecular weight of 994.98 g/mol, XLogP of 15.37, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole is sourced from PubChem (CID 140923114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).