10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene

C46H28F6 — CID 122379413

IUPAC10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene
SMILESFC(F)(F)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc3c(cc1-2)-c1ccc(C(F)(F)F)cc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H28F6/c47-45(48,49)33-21-23-35-37-27-38-36-24-22-34(46(50,51)52)26-40(36)44(31-17-9-3-10-18-31,32-19-11-4-12-20-32)42(38)28-41(37)43(39(35)25-33,29-13-5-1-6-14-29)30-15-7-2-8-16-30/h1-28H
InChIKeyXOXDQPDSBIAGRE-UHFFFAOYSA-N
MW694.72 g/mol
LogP12.45
Rot. Bonds4

About 10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene

10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene (PubChem CID 122379413) has the molecular formula C46H28F6 and a molecular weight of 694.72 g/mol. Its IUPAC name is 10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene.

Molecular Properties

Compound Name10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene
PubChem CID122379413
Molecular FormulaC46H28F6
Molecular Weight694.72 g/mol
Exact Mass694.21
IUPAC Name10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene
SMILESFC(F)(F)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc3c(cc1-2)-c1ccc(C(F)(F)F)cc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H28F6/c47-45(48,49)33-21-23-35-37-27-38-36-24-22-34(46(50,51)52)26-40(36)44(31-17-9-3-10-18-31,32-19-11-4-12-20-32)42(38)28-41(37)43(39(35)25-33,29-13-5-1-6-14-29)30-15-7-2-8-16-30/h1-28H
InChIKeyXOXDQPDSBIAGRE-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.72
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965533
2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965145
9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene
CID 59733842
2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine
CID 140560446
8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
CID 59002165
9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155360000
7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine
CID 156902961
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
5-[9-[3,5-bis(N-phenylanilino)phenyl]-2,7-ditert-butylfluoren-9-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 58141937
6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine
CID 170091409
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-[4-(3,5-dimethylphenyl)-3,5-dimethylphenyl]-9-phenylfluoren-2-amine
CID 177067004

Frequently Asked Questions

What is the IUPAC name of 10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene?
The IUPAC name of 10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene (CID 122379413) is 10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene.
What is the SMILES notation for 10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene?
The canonical SMILES for 10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene is FC(F)(F)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc3c(cc1-2)-c1ccc(C(F)(F)F)cc1C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene?
The InChIKey is XOXDQPDSBIAGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28F6/c47-45(48,49)33-21-23-35-37-27-38-36-24-22-34(46(50,51)52)26-40(36)44(31-17-9-3-10-18-31,32-19-11-4-12-20-32)42(38)28-41(37)43(39(35)25-33,29-13-5-1-6-14-29)30-15-7-2-8-16-30/h1-28H.
What are the key properties of 10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene?
10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene has a molecular weight of 694.72 g/mol, XLogP of 12.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene is sourced from PubChem (CID 122379413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).