ethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene

C37H45N — CID 90924405

IUPACethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene
SMILESCC.CC.CC1(C)c2ccccc2C2c3ccccc3C(C)(C)C21.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C20H22.C13H11N.2C2H6/c1-19(2)15-11-7-5-9-13(15)17-14-10-6-8-12-16(14)20(3,4)18(17)19;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-2/h5-12,17-18H,1-4H3;2-9H,1H3;2*1-2H3
InChIKeySCFRAIIJOWZJDN-UHFFFAOYSA-N
MW503.77 g/mol
LogP10.40
Rot. Bonds

About ethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene

ethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene (PubChem CID 90924405) has the molecular formula C37H45N and a molecular weight of 503.77 g/mol. Its IUPAC name is ethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene.

Molecular Properties

Compound Nameethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene
PubChem CID90924405
Molecular FormulaC37H45N
Molecular Weight503.77 g/mol
Exact Mass503.36
IUPAC Nameethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene
SMILESCC.CC.CC1(C)c2ccccc2C2c3ccccc3C(C)(C)C21.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C20H22.C13H11N.2C2H6/c1-19(2)15-11-7-5-9-13(15)17-14-10-6-8-12-16(14)20(3,4)18(17)19;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-2/h5-12,17-18H,1-4H3;2-9H,1H3;2*1-2H3
InChIKeySCFRAIIJOWZJDN-UHFFFAOYSA-N
XLogP10.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.77
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene?
The IUPAC name of ethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene (CID 90924405) is ethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene.
What is the SMILES notation for ethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene?
The canonical SMILES for ethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene is CC.CC.CC1(C)c2ccccc2C2c3ccccc3C(C)(C)C21.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of ethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene?
The InChIKey is SCFRAIIJOWZJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22.C13H11N.2C2H6/c1-19(2)15-11-7-5-9-13(15)17-14-10-6-8-12-16(14)20(3,4)18(17)19;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-2/h5-12,17-18H,1-4H3;2-9H,1H3;2*1-2H3.
What are the key properties of ethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene?
ethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene has a molecular weight of 503.77 g/mol, XLogP of 10.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methylcarbazole;9,9,10,10-tetramethyl-4b,9a-dihydroindeno[1,2-a]indene is sourced from PubChem (CID 90924405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).