3-nitro-9-phenylcarbazole;9-phenylcarbazole

C36H25N3O2 — CID 159323942

IUPAC3-nitro-9-phenylcarbazole;9-phenylcarbazole
SMILESO=[N+]([O-])c1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C18H12N2O2.C18H13N/c21-20(22)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19(18)13-6-2-1-3-7-13;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-12H;1-13H
InChIKeyLECSCGGRZOCXFO-UHFFFAOYSA-N
MW531.62 g/mol
LogP9.48
Rot. Bonds3

About 3-nitro-9-phenylcarbazole;9-phenylcarbazole

3-nitro-9-phenylcarbazole;9-phenylcarbazole (PubChem CID 159323942) has the molecular formula C36H25N3O2 and a molecular weight of 531.62 g/mol. Its IUPAC name is 3-nitro-9-phenylcarbazole;9-phenylcarbazole.

Molecular Properties

Compound Name3-nitro-9-phenylcarbazole;9-phenylcarbazole
PubChem CID159323942
Molecular FormulaC36H25N3O2
Molecular Weight531.62 g/mol
Exact Mass531.19
IUPAC Name3-nitro-9-phenylcarbazole;9-phenylcarbazole
SMILESO=[N+]([O-])c1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C18H12N2O2.C18H13N/c21-20(22)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19(18)13-6-2-1-3-7-13;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-12H;1-13H
InChIKeyLECSCGGRZOCXFO-UHFFFAOYSA-N
XLogP9.48
TPSA53.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.62
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-nitro-9-(4-nitrophenyl)carbazole
CID 23847398
3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 22944348
9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole
CID 138505630
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
9-[3-[6-(4-nitrophenyl)-2-pyridinyl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazole
CID 121276835
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
1-(4-nitrophenyl)-2-phenylquinolin-4-one
CID 44632197
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
9-[3-[4,6-bis(4-nitrophenyl)pyrimidin-2-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazole;9-[3-[4,6-bis(4-nitrophenyl)-1,3,5-triazin-2-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazole;9-[4-[4,6-bis(4-nitrophenyl)-1,3,5-triazin-2-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazole;9-[3-[6-(4-nitrophenyl)-2-pyridinyl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazole
CID 159643071
9-(4-nitrophenyl)pyrido[3,4-b]indole
CID 5239144

Frequently Asked Questions

What is the IUPAC name of 3-nitro-9-phenylcarbazole;9-phenylcarbazole?
The IUPAC name of 3-nitro-9-phenylcarbazole;9-phenylcarbazole (CID 159323942) is 3-nitro-9-phenylcarbazole;9-phenylcarbazole.
What is the SMILES notation for 3-nitro-9-phenylcarbazole;9-phenylcarbazole?
The canonical SMILES for 3-nitro-9-phenylcarbazole;9-phenylcarbazole is O=[N+]([O-])c1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 3-nitro-9-phenylcarbazole;9-phenylcarbazole?
The InChIKey is LECSCGGRZOCXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2.C18H13N/c21-20(22)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19(18)13-6-2-1-3-7-13;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-12H;1-13H.
What are the key properties of 3-nitro-9-phenylcarbazole;9-phenylcarbazole?
3-nitro-9-phenylcarbazole;9-phenylcarbazole has a molecular weight of 531.62 g/mol, XLogP of 9.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-9-phenylcarbazole;9-phenylcarbazole is sourced from PubChem (CID 159323942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).