1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole

C30H27N3 — CID 170071116

IUPAC1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole
SMILESCC1(C)C2=C(CCC(n3nnc4ccccc43)=C2)c2c1ccc1c2C(C)(C)c2ccccc2-1
InChIInChI=1S/C30H27N3/c1-29(2)23-16-15-20-19-9-5-6-10-22(19)30(3,4)28(20)27(23)21-14-13-18(17-24(21)29)33-26-12-8-7-11-25(26)31-32-33/h5-12,15-17H,13-14H2,1-4H3
InChIKeyAPRGNPOVDXQSSC-UHFFFAOYSA-N
MW429.57 g/mol
LogP7.12
Rot. Bonds1

About 1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole

1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole (PubChem CID 170071116) has the molecular formula C30H27N3 and a molecular weight of 429.57 g/mol. Its IUPAC name is 1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole.

Molecular Properties

Compound Name1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole
PubChem CID170071116
Molecular FormulaC30H27N3
Molecular Weight429.57 g/mol
Exact Mass429.22
IUPAC Name1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole
SMILESCC1(C)C2=C(CCC(n3nnc4ccccc43)=C2)c2c1ccc1c2C(C)(C)c2ccccc2-1
InChIInChI=1S/C30H27N3/c1-29(2)23-16-15-20-19-9-5-6-10-22(19)30(3,4)28(20)27(23)21-14-13-18(17-24(21)29)33-26-12-8-7-11-25(26)31-32-33/h5-12,15-17H,13-14H2,1-4H3
InChIKeyAPRGNPOVDXQSSC-UHFFFAOYSA-N
XLogP7.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole?
The IUPAC name of 1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole (CID 170071116) is 1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole.
What is the SMILES notation for 1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole?
The canonical SMILES for 1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole is CC1(C)C2=C(CCC(n3nnc4ccccc43)=C2)c2c1ccc1c2C(C)(C)c2ccccc2-1.
What is the InChIKey of 1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole?
The InChIKey is APRGNPOVDXQSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3/c1-29(2)23-16-15-20-19-9-5-6-10-22(19)30(3,4)28(20)27(23)21-14-13-18(17-24(21)29)33-26-12-8-7-11-25(26)31-32-33/h5-12,15-17H,13-14H2,1-4H3.
What are the key properties of 1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole?
1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole has a molecular weight of 429.57 g/mol, XLogP of 7.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole is sourced from PubChem (CID 170071116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).