1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole

C29H22N2O2 — CID 90035742

IUPAC1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole
SMILESCC1(C)c2ccccc2-c2ccc(-n3ccc4cc(-c5ccccc5[N+](=O)[O-])ccc43)cc21
InChIInChI=1S/C29H22N2O2/c1-29(2)25-9-5-3-8-23(25)24-13-12-21(18-26(24)29)30-16-15-20-17-19(11-14-27(20)30)22-7-4-6-10-28(22)31(32)33/h3-18H,1-2H3
InChIKeyCFQFFGVNTXJCOR-UHFFFAOYSA-N
MW430.51 g/mol
LogP7.51
Rot. Bonds3

About 1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole

1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole (PubChem CID 90035742) has the molecular formula C29H22N2O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole
PubChem CID90035742
Molecular FormulaC29H22N2O2
Molecular Weight430.51 g/mol
Exact Mass430.17
IUPAC Name1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole
SMILESCC1(C)c2ccccc2-c2ccc(-n3ccc4cc(-c5ccccc5[N+](=O)[O-])ccc43)cc21
InChIInChI=1S/C29H22N2O2/c1-29(2)25-9-5-3-8-23(25)24-13-12-21(18-26(24)29)30-16-15-20-17-19(11-14-27(20)30)22-7-4-6-10-28(22)31(32)33/h3-18H,1-2H3
InChIKeyCFQFFGVNTXJCOR-UHFFFAOYSA-N
XLogP7.51
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 57.51
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

9,9-dimethyl-3-(2-nitrophenyl)fluorene
CID 134530448
11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene
CID 126621942
1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole
CID 142725507
2-(4-bromo-2-nitrophenyl)-9,9-dimethylfluorene
CID 58501439
2-(5-bromo-2-nitrophenyl)-9,9-dimethylfluorene
CID 130288813
7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
CID 90257402
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 118475067
11-(5-bromo-2-nitrophenyl)-8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene
CID 90177174
12,27-bis(9,9-dimethylfluoren-2-yl)-12,27-diazaheptacyclo[26.2.2.28,11.213,16.223,26.02,7.017,22]octatriaconta-1(30),2,4,6,8(38),9,11(37),13(36),14,16(35),17,19,21,23,25,28,31,33-octadecaene
CID 121263135
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole?
The IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole (CID 90035742) is 1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole.
What is the SMILES notation for 1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole?
The canonical SMILES for 1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole is CC1(C)c2ccccc2-c2ccc(-n3ccc4cc(-c5ccccc5[N+](=O)[O-])ccc43)cc21.
What is the InChIKey of 1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole?
The InChIKey is CFQFFGVNTXJCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O2/c1-29(2)25-9-5-3-8-23(25)24-13-12-21(18-26(24)29)30-16-15-20-17-19(11-14-27(20)30)22-7-4-6-10-28(22)31(32)33/h3-18H,1-2H3.
What are the key properties of 1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole?
1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole has a molecular weight of 430.51 g/mol, XLogP of 7.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole is sourced from PubChem (CID 90035742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).