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

C145H200N2 — CID 159834197

IUPAC2,9-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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)-c1cc(C)ccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)c1ccccc1n2C.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2c3ccc(C)cc3c3ccccc3c2c1.Cc1ccc2c3ccccc3n(C)c2c1.Cc1cccc2c1C(C)(C)c1c(C)cccc1-2
InChIInChI=1S/C20H16.3C17H18.C16H14.2C14H13N.15C2H6/c1-13-7-9-17-18-10-8-14(2)12-20(18)16-6-4-3-5-15(16)19(17)11-13;1-11-5-7-15-13(9-11)14-10-12(2)6-8-16(14)17(15,3)4;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-11-7-5-9-13-14-10-6-8-12(2)16(14)17(3,4)15(11)13;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;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;15*1-2/h3-12H,1-2H3;3*5-10H,1-4H3;3-10H,1-2H3;2*3-9H,1-2H3;15*1-2H3
InChIKeyNNVRCVWQXSKGGK-UHFFFAOYSA-N
MW1971.21 g/mol
LogP46.87
Rot. Bonds

About 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

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 (PubChem CID 159834197) has the molecular formula C145H200N2 and a molecular weight of 1971.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,9-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
PubChem CID159834197
Molecular FormulaC145H200N2
Molecular Weight1971.21 g/mol
Exact Mass1969.57
IUPAC Name2,9-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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)-c1cc(C)ccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)c1ccccc1n2C.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2c3ccc(C)cc3c3ccccc3c2c1.Cc1ccc2c3ccccc3n(C)c2c1.Cc1cccc2c1C(C)(C)c1c(C)cccc1-2
InChIInChI=1S/C20H16.3C17H18.C16H14.2C14H13N.15C2H6/c1-13-7-9-17-18-10-8-14(2)12-20(18)16-6-4-3-5-15(16)19(17)11-13;1-11-5-7-15-13(9-11)14-10-12(2)6-8-16(14)17(15,3)4;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-11-7-5-9-13-14-10-6-8-12(2)16(14)17(3,4)15(11)13;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;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;15*1-2/h3-12H,1-2H3;3*5-10H,1-4H3;3-10H,1-2H3;2*3-9H,1-2H3;15*1-2H3
InChIKeyNNVRCVWQXSKGGK-UHFFFAOYSA-N
XLogP46.87
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001971.21
LogP ≤ 546.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
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
3-methylphenanthrene;1-methylpyrene;2-methylpyrene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene
CID 157157152
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole
CID 59194893
ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene
CID 160937920
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
CID 160789505
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
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
ethane;ethene;3,11,11-trimethylindeno[2,1-a]phenanthrene
CID 144670692

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)-c1cc(C)ccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)c1ccccc1n2C.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2c3ccc(C)cc3c3ccccc3c2c1.Cc1ccc2c3ccccc3n(C)c2c1.Cc1cccc2c1C(C)(C)c1c(C)cccc1-2.
What is the InChIKey of 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?
The InChIKey is NNVRCVWQXSKGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16.3C17H18.C16H14.2C14H13N.15C2H6/c1-13-7-9-17-18-10-8-14(2)12-20(18)16-6-4-3-5-15(16)19(17)11-13;1-11-5-7-15-13(9-11)14-10-12(2)6-8-16(14)17(15,3)4;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-11-7-5-9-13-14-10-6-8-12(2)16(14)17(3,4)15(11)13;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;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;15*1-2/h3-12H,1-2H3;3*5-10H,1-4H3;3-10H,1-2H3;2*3-9H,1-2H3;15*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1971.21 g/mol, XLogP of 46.87, 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;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;ethane;1,8,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene is sourced from PubChem (CID 159834197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).