2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene

C69H54S — CID 156721247

IUPAC2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c(-c3ccccc3)sc(-c3ccccc3)c21.Cc1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C36H24S.C17H14.C16H16/c1-23-20-21-27-26-16-8-10-18-29(26)36(31(27)22-23)30-19-11-9-17-28(30)32-33(36)35(25-14-6-3-7-15-25)37-34(32)24-12-4-2-5-13-24;1-13-7-2-4-10-15(13)17-12-6-9-14-8-3-5-11-16(14)17;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11/h2-22H,1H3;2-12H,1H3;4-10H,1-3H3
InChIKeyPVLFBMQFPTUJFY-UHFFFAOYSA-N
MW915.26 g/mol
LogP18.85
Rot. Bonds3

About 2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene

2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene (PubChem CID 156721247) has the molecular formula C69H54S and a molecular weight of 915.26 g/mol. Its IUPAC name is 2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene.

Molecular Properties

Compound Name2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene
PubChem CID156721247
Molecular FormulaC69H54S
Molecular Weight915.26 g/mol
Exact Mass914.39
IUPAC Name2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c(-c3ccccc3)sc(-c3ccccc3)c21.Cc1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C36H24S.C17H14.C16H16/c1-23-20-21-27-26-16-8-10-18-29(26)36(31(27)22-23)30-19-11-9-17-28(30)32-33(36)35(25-14-6-3-7-15-25)37-34(32)24-12-4-2-5-13-24;1-13-7-2-4-10-15(13)17-12-6-9-14-8-3-5-11-16(14)17;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11/h2-22H,1H3;2-12H,1H3;4-10H,1-3H3
InChIKeyPVLFBMQFPTUJFY-UHFFFAOYSA-N
XLogP18.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.26
LogP ≤ 518.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
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
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
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine
CID 156530529
3-methylfluoranthene;1-methylnaphthalene;1-methyl-4-phenylbenzene;1-methylpyrene;naphthalene;toluene;2,9,9-trimethylfluorene
CID 167628771
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 159829393
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421373
9,9-dimethylfluorene;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];toluene
CID 161053096
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine
CID 137388034
CID 142294433
CID 142294433
1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene
CID 159148611

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene?
The IUPAC name of 2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene (CID 156721247) is 2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene.
What is the SMILES notation for 2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene?
The canonical SMILES for 2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene is Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c(-c3ccccc3)sc(-c3ccccc3)c21.Cc1ccccc1-c1cccc2ccccc12.
What is the InChIKey of 2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene?
The InChIKey is PVLFBMQFPTUJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24S.C17H14.C16H16/c1-23-20-21-27-26-16-8-10-18-29(26)36(31(27)22-23)30-19-11-9-17-28(30)32-33(36)35(25-14-6-3-7-15-25)37-34(32)24-12-4-2-5-13-24;1-13-7-2-4-10-15(13)17-12-6-9-14-8-3-5-11-16(14)17;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11/h2-22H,1H3;2-12H,1H3;4-10H,1-3H3.
What are the key properties of 2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene?
2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene has a molecular weight of 915.26 g/mol, XLogP of 18.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene];1-(2-methylphenyl)naphthalene;2,9,9-trimethylfluorene is sourced from PubChem (CID 156721247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).