4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene]

C30H20N2O2 — CID 71514633

IUPAC4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene]
SMILESCn1c2c(c3cc([N+](=O)[O-])ccc31)C(c1ccccc1)=CC21c2ccccc2-c2ccccc21
InChIInChI=1S/C30H20N2O2/c1-31-27-16-15-20(32(33)34)17-23(27)28-24(19-9-3-2-4-10-19)18-30(29(28)31)25-13-7-5-11-21(25)22-12-6-8-14-26(22)30/h2-18H,1H3
InChIKeyWANYRWPEMWTDPL-UHFFFAOYSA-N
MW440.50 g/mol
LogP6.85
Rot. Bonds2

About 4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene]

4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene] (PubChem CID 71514633) has the molecular formula C30H20N2O2 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene].

Molecular Properties

Compound Name4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene]
PubChem CID71514633
Molecular FormulaC30H20N2O2
Molecular Weight440.50 g/mol
Exact Mass440.15
IUPAC Name4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene]
SMILESCn1c2c(c3cc([N+](=O)[O-])ccc31)C(c1ccccc1)=CC21c2ccccc2-c2ccccc21
InChIInChI=1S/C30H20N2O2/c1-31-27-16-15-20(32(33)34)17-23(27)28-24(19-9-3-2-4-10-19)18-30(29(28)31)25-13-7-5-11-21(25)22-12-6-8-14-26(22)30/h2-18H,1H3
InChIKeyWANYRWPEMWTDPL-UHFFFAOYSA-N
XLogP6.85
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 56.85
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

(1-methyl-5-nitro-3-phenylindol-2-yl)methanol
CID 752812
(1-methyl-5-nitro-3-phenylindol-2-yl)methanamine;hydrochloride
CID 13071415
7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole
CID 71514854
2-butyl-1-methyl-5-nitro-3-phenylindole
CID 158637734
N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine
CID 71148623
3-(2-fluorophenyl)-1-methyl-5-nitroindole-2-carboxamide
CID 154386165
(5R)-5-(2-hydroxy-2-methylpropyl)-5-methyl-10-nitro-12-phenylindolo[2,1-a]isoquinolin-6-one
CID 166447255
(2-methoxyphenyl)-(1-methyl-5-nitro-3-phenylindol-2-yl)methanol
CID 71148615
N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid
CID 71148613
1-methyl-2-(4-nitrophenyl)-3-phenylindole
CID 160683376
1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole
CID 59195703

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene]?
The IUPAC name of 4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene] (CID 71514633) is 4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene].
What is the SMILES notation for 4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene]?
The canonical SMILES for 4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene] is Cn1c2c(c3cc([N+](=O)[O-])ccc31)C(c1ccccc1)=CC21c2ccccc2-c2ccccc21.
What is the InChIKey of 4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene]?
The InChIKey is WANYRWPEMWTDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O2/c1-31-27-16-15-20(32(33)34)17-23(27)28-24(19-9-3-2-4-10-19)18-30(29(28)31)25-13-7-5-11-21(25)22-12-6-8-14-26(22)30/h2-18H,1H3.
What are the key properties of 4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene]?
4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene] has a molecular weight of 440.50 g/mol, XLogP of 6.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene] is sourced from PubChem (CID 71514633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).