7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole

C128H124N4 — CID 159939024

IUPAC7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2c1ccc1c3ccccc3n(C)c21.CCCCCCC1(CCCCCC)c2ccccc2-c2cc3c4ccccc4n(C)c3cc21.Cn1c2ccccc2c2cc3c(cc21)C(c1ccccc1)(c1ccccc1)c1ccccc1-3.Cn1c2ccccc2c2ccc3c(c21)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/2C32H23N.2C32H39N/c1-33-29-19-11-9-16-24(29)25-20-21-28-30(31(25)33)26-17-8-10-18-27(26)32(28,22-12-4-2-5-13-22)23-14-6-3-7-15-23;1-33-30-19-11-9-17-25(30)27-20-26-24-16-8-10-18-28(24)32(29(26)21-31(27)33,22-12-4-2-5-13-22)23-14-6-3-7-15-23;1-4-6-8-14-22-32(23-15-9-7-5-2)27-18-12-10-17-26(27)30-28(32)21-20-25-24-16-11-13-19-29(24)33(3)31(25)30;1-4-6-8-14-20-32(21-15-9-7-5-2)28-18-12-10-16-24(28)26-22-27-25-17-11-13-19-30(25)33(3)31(27)23-29(26)32/h2*2-21H,1H3;10-13,16-21H,4-9,14-15,22-23H2,1-3H3;10-13,16-19,22-23H,4-9,14-15,20-21H2,1-3H3
InChIKeyOAQATHUEGHTZMA-UHFFFAOYSA-N
MW1718.43 g/mol
LogP34.47
Rot. Bonds24

About 7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole

7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole (PubChem CID 159939024) has the molecular formula C128H124N4 and a molecular weight of 1718.43 g/mol. Its IUPAC name is 7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole
PubChem CID159939024
Molecular FormulaC128H124N4
Molecular Weight1718.43 g/mol
Exact Mass1716.98
IUPAC Name7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2c1ccc1c3ccccc3n(C)c21.CCCCCCC1(CCCCCC)c2ccccc2-c2cc3c4ccccc4n(C)c3cc21.Cn1c2ccccc2c2cc3c(cc21)C(c1ccccc1)(c1ccccc1)c1ccccc1-3.Cn1c2ccccc2c2ccc3c(c21)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/2C32H23N.2C32H39N/c1-33-29-19-11-9-16-24(29)25-20-21-28-30(31(25)33)26-17-8-10-18-27(26)32(28,22-12-4-2-5-13-22)23-14-6-3-7-15-23;1-33-30-19-11-9-17-25(30)27-20-26-24-16-8-10-18-28(24)32(29(26)21-31(27)33,22-12-4-2-5-13-22)23-14-6-3-7-15-23;1-4-6-8-14-22-32(23-15-9-7-5-2)27-18-12-10-17-26(27)30-28(32)21-20-25-24-16-11-13-19-29(24)33(3)31(25)30;1-4-6-8-14-20-32(21-15-9-7-5-2)28-18-12-10-16-24(28)26-22-27-25-17-11-13-19-30(25)33(3)31(27)23-29(26)32/h2*2-21H,1H3;10-13,16-21H,4-9,14-15,22-23H2,1-3H3;10-13,16-19,22-23H,4-9,14-15,20-21H2,1-3H3
InChIKeyOAQATHUEGHTZMA-UHFFFAOYSA-N
XLogP34.47
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001718.43
LogP ≤ 534.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole with MolForge

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Related Compounds

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CID 102171788
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CID 126632479
7,7-dioctylbenzo[c]fluorene
CID 59595496
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
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CID 156624221

Frequently Asked Questions

What is the IUPAC name of 7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole?
The IUPAC name of 7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole (CID 159939024) is 7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole is CCCCCCC1(CCCCCC)c2ccccc2-c2c1ccc1c3ccccc3n(C)c21.CCCCCCC1(CCCCCC)c2ccccc2-c2cc3c4ccccc4n(C)c3cc21.Cn1c2ccccc2c2cc3c(cc21)C(c1ccccc1)(c1ccccc1)c1ccccc1-3.Cn1c2ccccc2c2ccc3c(c21)-c1ccccc1C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole?
The InChIKey is OAQATHUEGHTZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H23N.2C32H39N/c1-33-29-19-11-9-16-24(29)25-20-21-28-30(31(25)33)26-17-8-10-18-27(26)32(28,22-12-4-2-5-13-22)23-14-6-3-7-15-23;1-33-30-19-11-9-17-25(30)27-20-26-24-16-8-10-18-28(24)32(29(26)21-31(27)33,22-12-4-2-5-13-22)23-14-6-3-7-15-23;1-4-6-8-14-22-32(23-15-9-7-5-2)27-18-12-10-17-26(27)30-28(32)21-20-25-24-16-11-13-19-29(24)33(3)31(25)30;1-4-6-8-14-20-32(21-15-9-7-5-2)28-18-12-10-16-24(28)26-22-27-25-17-11-13-19-30(25)33(3)31(27)23-29(26)32/h2*2-21H,1H3;10-13,16-21H,4-9,14-15,22-23H2,1-3H3;10-13,16-19,22-23H,4-9,14-15,20-21H2,1-3H3.
What are the key properties of 7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole?
7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole has a molecular weight of 1718.43 g/mol, XLogP of 34.47, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dihexyl-12-methylindeno[1,2-a]carbazole;7,7-dihexyl-5-methylindeno[2,1-b]carbazole;12-methyl-7,7-diphenylindeno[1,2-a]carbazole;5-methyl-7,7-diphenylindeno[2,1-b]carbazole is sourced from PubChem (CID 159939024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).