N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene

C68H58N2S — CID 144614559

About N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene

N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene (PubChem CID 144614559) has the molecular formula C68H58N2S and a molecular weight of 935.29 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene.

Molecular Properties

• Compound Name: N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene
• PubChem CID: 144614559
• Molecular Formula: C68H58N2S
• Molecular Weight: 935.29 g/mol
• Exact Mass: 934.43
• IUPAC Name: N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene
• SMILES: CCC1c2ccccc2-c2cc(C)ccc21.Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)c3ccccc3n4C)c3cccc4sc5ccccc5c34)c3ccccc3c1-2.Cc1ccccc1
• InChI: InChI=1S/C45H34N2S.C16H16.C7H8/c1-27-20-22-32-35(24-27)45(2,3)36-26-40(29-12-5-6-14-31(29)43(32)36)47(39-17-11-19-42-44(39)33-15-8-10-18-41(33)48-42)28-21-23-38-34(25-28)30-13-7-9-16-37(30)46(38)4;1-3-12-13-6-4-5-7-14(13)16-10-11(2)8-9-15(12)16;1-7-5-3-2-4-6-7/h5-26H,1-4H3;4-10,12H,3H2,1-2H3;2-6H,1H3
• InChIKey: YGVXIGFDCQBVLJ-UHFFFAOYSA-N
• XLogP: 19.45
• TPSA: 8.17 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.29
LogP ≤ 5	19.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene?

The IUPAC name of N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene (CID 144614559) is N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene.

What is the SMILES notation for N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene?

The canonical SMILES for N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene is CCC1c2ccccc2-c2cc(C)ccc21.Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)c3ccccc3n4C)c3cccc4sc5ccccc5c34)c3ccccc3c1-2.Cc1ccccc1.

What is the InChIKey of N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene?

The InChIKey is YGVXIGFDCQBVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2S.C16H16.C7H8/c1-27-20-22-32-35(24-27)45(2,3)36-26-40(29-12-5-6-14-31(29)43(32)36)47(39-17-11-19-42-44(39)33-15-8-10-18-41(33)48-42)28-21-23-38-34(25-28)30-13-7-9-16-37(30)46(38)4;1-3-12-13-6-4-5-7-14(13)16-10-11(2)8-9-15(12)16;1-7-5-3-2-4-6-7/h5-26H,1-4H3;4-10,12H,3H2,1-2H3;2-6H,1H3.

What are the key properties of N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene?

N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene has a molecular weight of 935.29 g/mol, XLogP of 19.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene is sourced from PubChem (CID 144614559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).