butane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene

C105H114 — CID 160827106

IUPACbutane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene
SMILESCC.CC(C)(C)C.CC1(c2ccccc2)c2ccccc2-c2ccccc21.CCC.CCCC.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1ccccc1
InChIInChI=1S/C26H18.C20H16.C16H16.2C11H10.C7H8.C5H12.C4H10.C3H8.C2H6/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-20(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)20;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;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;1-7-5-3-2-4-6-7;1-5(2,3)4;1-3-4-2;1-3-2;1-2/h2-16H,1H3;2-14H,1H3;4-10H,1-3H3;2*2-8H,1H3;2-6H,1H3;1-4H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeySGIAZEDWJXGBDJ-UHFFFAOYSA-N
MW1376.07 g/mol
LogP30.25
Rot. Bonds2

About butane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene

butane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene (PubChem CID 160827106) has the molecular formula C105H114 and a molecular weight of 1376.07 g/mol. Its IUPAC name is butane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene.

Molecular Properties

Compound Namebutane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene
PubChem CID160827106
Molecular FormulaC105H114
Molecular Weight1376.07 g/mol
Exact Mass1374.89
IUPAC Namebutane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene
SMILESCC.CC(C)(C)C.CC1(c2ccccc2)c2ccccc2-c2ccccc21.CCC.CCCC.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1ccccc1
InChIInChI=1S/C26H18.C20H16.C16H16.2C11H10.C7H8.C5H12.C4H10.C3H8.C2H6/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-20(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)20;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;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;1-7-5-3-2-4-6-7;1-5(2,3)4;1-3-4-2;1-3-2;1-2/h2-16H,1H3;2-14H,1H3;4-10H,1-3H3;2*2-8H,1H3;2-6H,1H3;1-4H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeySGIAZEDWJXGBDJ-UHFFFAOYSA-N
XLogP30.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001376.07
LogP ≤ 530.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze butane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene with MolForge

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Related Compounds

9,9-dimethylfluorene;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];toluene
CID 161053096
2-methyl-9,9-diphenylfluorene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];2,9,9-trimethylfluorene
CID 158540560
CID 142294433
CID 142294433
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;1-[4-(4-methylphenyl)phenyl]naphthalene;2-[4-(4-methylphenyl)phenyl]naphthalene
CID 157431212
9,9-bis(4-methylphenyl)fluorene;9-butyl-9-propylfluorene;9,9-diethylfluorene;bis(9,9-dimethylfluorene);9,9-diphenylfluorene;1-methylnaphthalene;2-methylnaphthalene;nonakis(2-methylpropane);toluene;tris(triphenylene)
CID 157491370
2-methylnaphthalene;2,9,9-trimethylfluorene
CID 144639676
3-methylfluoranthene;1-methylnaphthalene;1-methyl-4-phenylbenzene;1-methylpyrene;naphthalene;toluene;2,9,9-trimethylfluorene
CID 167628771
N,N-bis(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-2-yl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 157319192
2-methyl-9,9-diphenylfluorene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene
CID 158548033
2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene
CID 160654407
9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
CID 160966642
N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 177287831

Frequently Asked Questions

What is the IUPAC name of butane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene?
The IUPAC name of butane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene (CID 160827106) is butane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene.
What is the SMILES notation for butane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene?
The canonical SMILES for butane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene is CC.CC(C)(C)C.CC1(c2ccccc2)c2ccccc2-c2ccccc21.CCC.CCCC.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1ccccc1.
What is the InChIKey of butane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene?
The InChIKey is SGIAZEDWJXGBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18.C20H16.C16H16.2C11H10.C7H8.C5H12.C4H10.C3H8.C2H6/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-20(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)20;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;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;1-7-5-3-2-4-6-7;1-5(2,3)4;1-3-4-2;1-3-2;1-2/h2-16H,1H3;2-14H,1H3;4-10H,1-3H3;2*2-8H,1H3;2-6H,1H3;1-4H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of butane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene?
butane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene has a molecular weight of 1376.07 g/mol, XLogP of 30.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene is sourced from PubChem (CID 160827106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).