9-(carbazol-9-ylmethyl)-3-nitrocarbazole

C25H17N3O2 — CID 15716134

IUPAC9-(carbazol-9-ylmethyl)-3-nitrocarbazole
SMILESO=[N+]([O-])c1ccc2c(c1)c1ccccc1n2Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H17N3O2/c29-28(30)17-13-14-25-21(15-17)20-9-3-6-12-24(20)27(25)16-26-22-10-4-1-7-18(22)19-8-2-5-11-23(19)26/h1-15H,16H2
InChIKeyPRJKXOJNZSOKQR-UHFFFAOYSA-N
MW391.43 g/mol
LogP6.32
Rot. Bonds3

About 9-(carbazol-9-ylmethyl)-3-nitrocarbazole

9-(carbazol-9-ylmethyl)-3-nitrocarbazole (PubChem CID 15716134) has the molecular formula C25H17N3O2 and a molecular weight of 391.43 g/mol. Its IUPAC name is 9-(carbazol-9-ylmethyl)-3-nitrocarbazole.

Molecular Properties

Compound Name9-(carbazol-9-ylmethyl)-3-nitrocarbazole
PubChem CID15716134
Molecular FormulaC25H17N3O2
Molecular Weight391.43 g/mol
Exact Mass391.13
IUPAC Name9-(carbazol-9-ylmethyl)-3-nitrocarbazole
SMILESO=[N+]([O-])c1ccc2c(c1)c1ccccc1n2Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H17N3O2/c29-28(30)17-13-14-25-21(15-17)20-9-3-6-12-24(20)27(25)16-26-22-10-4-1-7-18(22)19-8-2-5-11-23(19)26/h1-15H,16H2
InChIKeyPRJKXOJNZSOKQR-UHFFFAOYSA-N
XLogP6.32
TPSA53.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 56.32
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

11-(3-nitrocarbazol-9-yl)undecanoic acid
CID 51056130
trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane
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N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine
CID 15621619
3-nitro-9-(prop-2-enoxymethyl)carbazole
CID 12067576
3-nitro-9-(4-nitrophenyl)carbazole
CID 23847398
3-nitro-9-phenylcarbazole;9-phenylcarbazole
CID 159323942
9-benzyl-3,6-dinitrocarbazole
CID 5059102
10-benzyl-2-nitroacridin-9-one
CID 12751568
2-(3,6-dinitrocarbazol-9-yl)-1-phenylethanone
CID 23932157
9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole
CID 134312293
3,6-dinitro-9-[[(2R)-oxiran-2-yl]methyl]carbazole
CID 7038016
3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 22944348

Frequently Asked Questions

What is the IUPAC name of 9-(carbazol-9-ylmethyl)-3-nitrocarbazole?
The IUPAC name of 9-(carbazol-9-ylmethyl)-3-nitrocarbazole (CID 15716134) is 9-(carbazol-9-ylmethyl)-3-nitrocarbazole.
What is the SMILES notation for 9-(carbazol-9-ylmethyl)-3-nitrocarbazole?
The canonical SMILES for 9-(carbazol-9-ylmethyl)-3-nitrocarbazole is O=[N+]([O-])c1ccc2c(c1)c1ccccc1n2Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-(carbazol-9-ylmethyl)-3-nitrocarbazole?
The InChIKey is PRJKXOJNZSOKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2/c29-28(30)17-13-14-25-21(15-17)20-9-3-6-12-24(20)27(25)16-26-22-10-4-1-7-18(22)19-8-2-5-11-23(19)26/h1-15H,16H2.
What are the key properties of 9-(carbazol-9-ylmethyl)-3-nitrocarbazole?
9-(carbazol-9-ylmethyl)-3-nitrocarbazole has a molecular weight of 391.43 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(carbazol-9-ylmethyl)-3-nitrocarbazole is sourced from PubChem (CID 15716134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).