9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine

C76H71F2N — CID 162115764

IUPAC9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine
SMILESCC.Cc1ccc(-c2ccc(F)cc2)cc1.Cc1ccc(F)cc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1N2c1ccccc1.Cc1ccccc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C25H18.C22H21N.C13H11F.C7H7F.C7H8.C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-16-13-14-21-19(15-16)22(2,3)18-11-7-8-12-20(18)23(21)17-9-5-4-6-10-17;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-2/h1-18H;4-15H,1-3H3;2-9H,1H3;2-5H,1H3;2-6H,1H3;1-2H3
InChIKeyZGSWNXYXVBFZHM-UHFFFAOYSA-N
MW1036.41 g/mol
LogP21.11
Rot. Bonds4

About 9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine

9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine (PubChem CID 162115764) has the molecular formula C76H71F2N and a molecular weight of 1036.41 g/mol. Its IUPAC name is 9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine.

Molecular Properties

Compound Name9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine
PubChem CID162115764
Molecular FormulaC76H71F2N
Molecular Weight1036.41 g/mol
Exact Mass1035.56
IUPAC Name9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine
SMILESCC.Cc1ccc(-c2ccc(F)cc2)cc1.Cc1ccc(F)cc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1N2c1ccccc1.Cc1ccccc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C25H18.C22H21N.C13H11F.C7H7F.C7H8.C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-16-13-14-21-19(15-16)22(2,3)18-11-7-8-12-20(18)23(21)17-9-5-4-6-10-17;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-2/h1-18H;4-15H,1-3H3;2-9H,1H3;2-5H,1H3;2-6H,1H3;1-2H3
InChIKeyZGSWNXYXVBFZHM-UHFFFAOYSA-N
XLogP21.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001036.41
LogP ≤ 521.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene
CID 71004390
10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
9,9-dimethyl-N-naphthalen-2-yl-10-phenyl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)acridin-2-amine
CID 167214913
7,9,9-trimethyl-N,10-diphenyl-N-(4-phenylphenyl)acridin-2-amine
CID 144559423
9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine
CID 140899053

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine?
The IUPAC name of 9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine (CID 162115764) is 9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine.
What is the SMILES notation for 9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine?
The canonical SMILES for 9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine is CC.Cc1ccc(-c2ccc(F)cc2)cc1.Cc1ccc(F)cc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1N2c1ccccc1.Cc1ccccc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine?
The InChIKey is ZGSWNXYXVBFZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.C22H21N.C13H11F.C7H7F.C7H8.C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-16-13-14-21-19(15-16)22(2,3)18-11-7-8-12-20(18)23(21)17-9-5-4-6-10-17;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-2/h1-18H;4-15H,1-3H3;2-9H,1H3;2-5H,1H3;2-6H,1H3;1-2H3.
What are the key properties of 9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine?
9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine has a molecular weight of 1036.41 g/mol, XLogP of 21.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine is sourced from PubChem (CID 162115764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).