10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole

C23H18N2O2 — CID 90257397

IUPAC10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole
SMILESCC1(C)c2ccccc2-c2[nH]c3cccc(-c4ccccc4[N+](=O)[O-])c3c21
InChIInChI=1S/C23H18N2O2/c1-23(2)17-11-5-3-9-16(17)22-21(23)20-15(10-7-12-18(20)24-22)14-8-4-6-13-19(14)25(26)27/h3-13,24H,1-2H3
InChIKeyPNKXSBBSDDALMF-UHFFFAOYSA-N
MW354.41 g/mol
LogP6.05
Rot. Bonds2

About 10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole

10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole (PubChem CID 90257397) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole.

Molecular Properties

Compound Name10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole
PubChem CID90257397
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole
SMILESCC1(C)c2ccccc2-c2[nH]c3cccc(-c4ccccc4[N+](=O)[O-])c3c21
InChIInChI=1S/C23H18N2O2/c1-23(2)17-11-5-3-9-16(17)22-21(23)20-15(10-7-12-18(20)24-22)14-8-4-6-13-19(14)25(26)27/h3-13,24H,1-2H3
InChIKeyPNKXSBBSDDALMF-UHFFFAOYSA-N
XLogP6.05
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

9,9-dimethyl-4-(2-nitrophenyl)fluorene
CID 175669556
11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene
CID 126621942
9-methyl-9-(2-nitrophenyl)fluorene
CID 129293080
9,9-dimethyl-3-(2-nitrophenyl)fluorene
CID 134530448
4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole
CID 170091383
1-methyl-4-(2-nitrophenyl)naphthalene
CID 66585246
1-bromo-5-(2-nitrophenyl)naphthalene
CID 118332360
5,5,6,6-tetramethyl-11H-benzo[a]carbazole
CID 3770048
1-(2-nitrophenyl)-9-phenylcarbazole;12-phenyl-5H-indolo[3,2-c]carbazole;triethyl phosphite
CID 160748116
4-fluoro-2-hexyl-3-(2-nitrophenyl)-1H-indole
CID 53255305
3,6-bis(2-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 134109320
10,10-dimethyl-8-phenyl-5H-indeno[1,2-b]indole
CID 144827773

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole?
The IUPAC name of 10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole (CID 90257397) is 10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole.
What is the SMILES notation for 10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole?
The canonical SMILES for 10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole is CC1(C)c2ccccc2-c2[nH]c3cccc(-c4ccccc4[N+](=O)[O-])c3c21.
What is the InChIKey of 10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole?
The InChIKey is PNKXSBBSDDALMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-23(2)17-11-5-3-9-16(17)22-21(23)20-15(10-7-12-18(20)24-22)14-8-4-6-13-19(14)25(26)27/h3-13,24H,1-2H3.
What are the key properties of 10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole?
10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole has a molecular weight of 354.41 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole is sourced from PubChem (CID 90257397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).