9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine

C51H41FN2 — CID 144613209

IUPAC9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
SMILESCc1ccccc1-c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2ccc(N(c4ccccc4)c4ccccc4F)cc2C3(C)C)cc1C
InChIInChI=1S/C51H41FN2/c1-34-17-11-12-22-40(34)41-29-27-38(31-35(41)2)54(37-20-9-6-10-21-37)49-33-46-50(43-24-14-13-23-42(43)49)44-30-28-39(32-45(44)51(46,3)4)53(36-18-7-5-8-19-36)48-26-16-15-25-47(48)52/h5-33H,1-4H3
InChIKeyYBXFYZBPDODEOH-UHFFFAOYSA-N
MW700.90 g/mol
LogP14.51
Rot. Bonds7

About 9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine

9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine (PubChem CID 144613209) has the molecular formula C51H41FN2 and a molecular weight of 700.90 g/mol. Its IUPAC name is 9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine.

Molecular Properties

Compound Name9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
PubChem CID144613209
Molecular FormulaC51H41FN2
Molecular Weight700.90 g/mol
Exact Mass700.33
IUPAC Name9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
SMILESCc1ccccc1-c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2ccc(N(c4ccccc4)c4ccccc4F)cc2C3(C)C)cc1C
InChIInChI=1S/C51H41FN2/c1-34-17-11-12-22-40(34)41-29-27-38(31-35(41)2)54(37-20-9-6-10-21-37)49-33-46-50(43-24-14-13-23-42(43)49)44-30-28-39(32-45(44)51(46,3)4)53(36-18-7-5-8-19-36)48-26-16-15-25-47(48)52/h5-33H,1-4H3
InChIKeyYBXFYZBPDODEOH-UHFFFAOYSA-N
XLogP14.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.90
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-N,9-N-di(dibenzothiophen-3-yl)-5-N,9-N-bis(2-fluorophenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine
CID 144614256
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
5-N-(9,10-didehydrophenanthren-1-yl)-7,7-dimethyl-9-N-(2-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 90128670
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359
2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine
CID 144614134
7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 121321506
N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine
CID 90277902
12,12,22,22-tetramethyl-9-N,19-N-bis(2-methylphenyl)-9-N,19-N-bis(4-propan-2-ylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 171449195
5-N-dibenzofuran-1-yl-7,7-dimethyl-9-N-(3-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 90128722
22-ethyl-12,12,22-trimethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 123586227
N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methylanilino)phenyl]phenyl]-7,7-dimethyl-N-(4-methylphenyl)benzo[c]fluoren-5-amine;N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-3-phenylanilino)phenyl]phenyl]-7,7-dimethyl-N-(3-phenylphenyl)benzo[c]fluoren-5-amine
CID 159608670

Frequently Asked Questions

What is the IUPAC name of 9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine?
The IUPAC name of 9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine (CID 144613209) is 9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine.
What is the SMILES notation for 9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine?
The canonical SMILES for 9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine is Cc1ccccc1-c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2ccc(N(c4ccccc4)c4ccccc4F)cc2C3(C)C)cc1C.
What is the InChIKey of 9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine?
The InChIKey is YBXFYZBPDODEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41FN2/c1-34-17-11-12-22-40(34)41-29-27-38(31-35(41)2)54(37-20-9-6-10-21-37)49-33-46-50(43-24-14-13-23-42(43)49)44-30-28-39(32-45(44)51(46,3)4)53(36-18-7-5-8-19-36)48-26-16-15-25-47(48)52/h5-33H,1-4H3.
What are the key properties of 9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine?
9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine has a molecular weight of 700.90 g/mol, XLogP of 14.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 144613209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).