N-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine

C60H45N — CID 167260306

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine
SMILESC=C1CCc2ccccc2-c2c1cccc2N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c-2ccc2ccccc12
InChIInChI=1S/C60H45N/c1-39-29-30-40-17-10-12-23-47(40)57-46(39)26-16-28-56(57)61(44-32-35-50-49-25-14-15-27-53(49)59(2,3)54(50)37-44)45-33-36-51-52-34-31-41-18-11-13-24-48(41)58(52)60(55(51)38-45,42-19-6-4-7-20-42)43-21-8-5-9-22-43/h4-28,31-38H,1,29-30H2,2-3H3
InChIKeyBSMCOVGGFUWBBV-UHFFFAOYSA-N
MW780.03 g/mol
LogP15.61
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine

N-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine (PubChem CID 167260306) has the molecular formula C60H45N and a molecular weight of 780.03 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine
PubChem CID167260306
Molecular FormulaC60H45N
Molecular Weight780.03 g/mol
Exact Mass779.36
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine
SMILESC=C1CCc2ccccc2-c2c1cccc2N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c-2ccc2ccccc12
InChIInChI=1S/C60H45N/c1-39-29-30-40-17-10-12-23-47(40)57-46(39)26-16-28-56(57)61(44-32-35-50-49-25-14-15-27-53(49)59(2,3)54(50)37-44)45-33-36-51-52-34-31-41-18-11-13-24-48(41)58(52)60(55(51)38-45,42-19-6-4-7-20-42)43-21-8-5-9-22-43/h4-28,31-38H,1,29-30H2,2-3H3
InChIKeyBSMCOVGGFUWBBV-UHFFFAOYSA-N
XLogP15.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.03
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine with MolForge

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Related Compounds

11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
CID 170538764
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine
CID 171453718
5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660915
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine
CID 164730805
N-(2-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293399
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenanthren-2-amine
CID 170216868
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480849
N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine;N,N-bis(9,9-diphenylfluoren-4-yl)triphenylen-2-amine
CID 159512950
N-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163701550
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 165158535

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine (CID 167260306) is N-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine is C=C1CCc2ccccc2-c2c1cccc2N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c-2ccc2ccccc12.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine?
The InChIKey is BSMCOVGGFUWBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N/c1-39-29-30-40-17-10-12-23-47(40)57-46(39)26-16-28-56(57)61(44-32-35-50-49-25-14-15-27-53(49)59(2,3)54(50)37-44)45-33-36-51-52-34-31-41-18-11-13-24-48(41)58(52)60(55(51)38-45,42-19-6-4-7-20-42)43-21-8-5-9-22-43/h4-28,31-38H,1,29-30H2,2-3H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine has a molecular weight of 780.03 g/mol, XLogP of 15.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine is sourced from PubChem (CID 167260306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).