5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene

C67H59NO — CID 143802774

IUPAC5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cc(-c4cc(O)c(C)cc4C)c(C)cc3C)cc2)cc1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)C1C=CC=CC21
InChIInChI=1S/C41H37NO.C26H22/c1-27-11-17-35(18-12-27)42(36-19-13-33(14-20-36)32-9-7-6-8-10-32)37-21-15-34(16-22-37)38-25-39(29(3)23-28(38)2)40-26-41(43)31(5)24-30(40)4;1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h6-26,43H,1-5H3;2-18,22,24H,1H3
InChIKeyOBTVYKKQAPELNT-UHFFFAOYSA-N
MW894.22 g/mol
LogP17.57
Rot. Bonds8

About 5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene

5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene (PubChem CID 143802774) has the molecular formula C67H59NO and a molecular weight of 894.22 g/mol. Its IUPAC name is 5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene.

Molecular Properties

Compound Name5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene
PubChem CID143802774
Molecular FormulaC67H59NO
Molecular Weight894.22 g/mol
Exact Mass893.46
IUPAC Name5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cc(-c4cc(O)c(C)cc4C)c(C)cc3C)cc2)cc1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)C1C=CC=CC21
InChIInChI=1S/C41H37NO.C26H22/c1-27-11-17-35(18-12-27)42(36-19-13-33(14-20-36)32-9-7-6-8-10-32)37-21-15-34(16-22-37)38-25-39(29(3)23-28(38)2)40-26-41(43)31(5)24-30(40)4;1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h6-26,43H,1-5H3;2-18,22,24H,1H3
InChIKeyOBTVYKKQAPELNT-UHFFFAOYSA-N
XLogP17.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.22
LogP ≤ 517.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 145141242
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[14-(4-methylphenyl)-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaenyl]phenyl]-4-phenylaniline
CID 146414892
N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine
CID 146413961
N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine
CID 144640230
2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 130180840
N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
CID 164778272
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-3-amine
CID 174252364
7,9,9-trimethyl-4a,9a-dihydrofluorene
CID 142301822
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166820061
N-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine
CID 155416718
10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine
CID 138582736
N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 177287726

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene?
The IUPAC name of 5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene (CID 143802774) is 5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene.
What is the SMILES notation for 5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene?
The canonical SMILES for 5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cc(-c4cc(O)c(C)cc4C)c(C)cc3C)cc2)cc1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)C1C=CC=CC21.
What is the InChIKey of 5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene?
The InChIKey is OBTVYKKQAPELNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H37NO.C26H22/c1-27-11-17-35(18-12-27)42(36-19-13-33(14-20-36)32-9-7-6-8-10-32)37-21-15-34(16-22-37)38-25-39(29(3)23-28(38)2)40-26-41(43)31(5)24-30(40)4;1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h6-26,43H,1-5H3;2-18,22,24H,1H3.
What are the key properties of 5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene?
5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene has a molecular weight of 894.22 g/mol, XLogP of 17.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene is sourced from PubChem (CID 143802774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).