2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene

C126H122N2 — CID 159508600

IUPAC2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)c1ccccc1n2C.Cc1ccc2c3ccccc3n(C)c2c1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2ccccc2c1.Cc1cccc2c1-c1ccccc1C2(C)C.Cc1cccc2c1C(C)(C)c1ccccc1-2.Cc1cccc2ccccc12
InChIInChI=1S/4C16H16.2C14H13N.C12H12.2C11H10/c1-11-7-6-9-13-12-8-4-5-10-14(12)16(2,3)15(11)13;1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15(14)2;1-10-7-8-12-11-5-3-4-6-13(11)15(2)14(12)9-10;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h4*4-10H,1-3H3;2*3-9H,1-2H3;3-8H,1-2H3;2*2-8H,1H3
InChIKeyMAHUUZVPHATWES-UHFFFAOYSA-N
MW1664.38 g/mol
LogP34.24
Rot. Bonds

About 2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene

2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene (PubChem CID 159508600) has the molecular formula C126H122N2 and a molecular weight of 1664.38 g/mol. Its IUPAC name is 2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene.

Molecular Properties

Compound Name2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
PubChem CID159508600
Molecular FormulaC126H122N2
Molecular Weight1664.38 g/mol
Exact Mass1662.96
IUPAC Name2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)c1ccccc1n2C.Cc1ccc2c3ccccc3n(C)c2c1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2ccccc2c1.Cc1cccc2c1-c1ccccc1C2(C)C.Cc1cccc2c1C(C)(C)c1ccccc1-2.Cc1cccc2ccccc12
InChIInChI=1S/4C16H16.2C14H13N.C12H12.2C11H10/c1-11-7-6-9-13-12-8-4-5-10-14(12)16(2,3)15(11)13;1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15(14)2;1-10-7-8-12-11-5-3-4-6-13(11)15(2)14(12)9-10;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h4*4-10H,1-3H3;2*3-9H,1-2H3;3-8H,1-2H3;2*2-8H,1H3
InChIKeyMAHUUZVPHATWES-UHFFFAOYSA-N
XLogP34.24
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001664.38
LogP ≤ 534.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene with MolForge

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Related Compounds

1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1,9-dimethyl-9-(trideuteriomethyl)fluorene;2,9-dimethyl-9-(trideuteriomethyl)fluorene;1-methylnaphthalene;2-methylnaphthalene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 157142925
2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;ethane;1,8,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene
CID 159834197
9-methylcarbazole;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;toluene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 160599586
toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
CID 160789505
3-methylphenanthrene;1-methylpyrene;2-methylpyrene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene
CID 157157152
1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 160789918
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole
CID 59194893
9,9-dimethyl-2-(3-methylphenyl)fluorene;9,9-dimethyl-2-(4-methylphenyl)fluorene;1,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene;1,9,9-trimethyl-7-phenylfluorene;6,9,9-trimethyl-2-phenylfluorene
CID 159835700
5-(4-methylphenyl)-3,9-diphenylcarbazole;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene;2,9,9-trimethyl-7-phenylfluorene
CID 162007597
2-methylnaphthalene;2,9,9-trimethylfluorene
CID 144639676
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 162061427
3-methylfluoranthene;1-methylnaphthalene;1-methyl-4-phenylbenzene;1-methylpyrene;naphthalene;toluene;2,9,9-trimethylfluorene
CID 167628771

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene?
The IUPAC name of 2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene (CID 159508600) is 2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene.
What is the SMILES notation for 2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene?
The canonical SMILES for 2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene is Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)c1ccccc1n2C.Cc1ccc2c3ccccc3n(C)c2c1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2ccccc2c1.Cc1cccc2c1-c1ccccc1C2(C)C.Cc1cccc2c1C(C)(C)c1ccccc1-2.Cc1cccc2ccccc12.
What is the InChIKey of 2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene?
The InChIKey is MAHUUZVPHATWES-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H16.2C14H13N.C12H12.2C11H10/c1-11-7-6-9-13-12-8-4-5-10-14(12)16(2,3)15(11)13;1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15(14)2;1-10-7-8-12-11-5-3-4-6-13(11)15(2)14(12)9-10;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h4*4-10H,1-3H3;2*3-9H,1-2H3;3-8H,1-2H3;2*2-8H,1H3.
What are the key properties of 2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene?
2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene has a molecular weight of 1664.38 g/mol, XLogP of 34.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene is sourced from PubChem (CID 159508600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).