9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine

C80H66N2 — CID 89187193

IUPAC9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c4ccccc4c(N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(-c5ccccc5)cc34)cc21
InChIInChI=1S/C80H66N2/c1-77(2)70-33-21-17-27-58(70)65-45-51(38-43-71(65)77)81(52-35-40-59-55-24-14-18-30-67(55)78(3,4)72(59)46-52)75-62-28-12-13-29-63(62)76(66-44-50(34-39-64(66)75)49-22-10-9-11-23-49)82(53-36-41-60-56-25-15-19-31-68(56)79(5,6)73(60)47-53)54-37-42-61-57-26-16-20-32-69(57)80(7,8)74(61)48-54/h9-15,17-25,27-48H,16,26H2,1-8H3
InChIKeyDYKTVFJNQNGLKR-UHFFFAOYSA-N
MW1055.42 g/mol
LogP21.91
Rot. Bonds7

About 9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine

9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine (PubChem CID 89187193) has the molecular formula C80H66N2 and a molecular weight of 1055.42 g/mol. Its IUPAC name is 9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine.

Molecular Properties

Compound Name9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine
PubChem CID89187193
Molecular FormulaC80H66N2
Molecular Weight1055.42 g/mol
Exact Mass1054.52
IUPAC Name9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c4ccccc4c(N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(-c5ccccc5)cc34)cc21
InChIInChI=1S/C80H66N2/c1-77(2)70-33-21-17-27-58(70)65-45-51(38-43-71(65)77)81(52-35-40-59-55-24-14-18-30-67(55)78(3,4)72(59)46-52)75-62-28-12-13-29-63(62)76(66-44-50(34-39-64(66)75)49-22-10-9-11-23-49)82(53-36-41-60-56-25-15-19-31-68(56)79(5,6)73(60)47-53)54-37-42-61-57-26-16-20-32-69(57)80(7,8)74(61)48-54/h9-15,17-25,27-48H,16,26H2,1-8H3
InChIKeyDYKTVFJNQNGLKR-UHFFFAOYSA-N
XLogP21.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001055.42
LogP ≤ 521.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 155114067
14-N,21-N-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,21-N-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
CID 88555488
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 166906613
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine
CID 138489071
N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline
CID 174306376
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
CID 145331604
2-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-N,6-N,6-N-tris(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89189585
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine;ethane
CID 142406196
5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 89065475

Frequently Asked Questions

What is the IUPAC name of 9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine?
The IUPAC name of 9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine (CID 89187193) is 9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine.
What is the SMILES notation for 9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine?
The canonical SMILES for 9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine is CC1(C)C2=C(CCC=C2)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c4ccccc4c(N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(-c5ccccc5)cc34)cc21.
What is the InChIKey of 9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine?
The InChIKey is DYKTVFJNQNGLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H66N2/c1-77(2)70-33-21-17-27-58(70)65-45-51(38-43-71(65)77)81(52-35-40-59-55-24-14-18-30-67(55)78(3,4)72(59)46-52)75-62-28-12-13-29-63(62)76(66-44-50(34-39-64(66)75)49-22-10-9-11-23-49)82(53-36-41-60-56-25-15-19-31-68(56)79(5,6)73(60)47-53)54-37-42-61-57-26-16-20-32-69(57)80(7,8)74(61)48-54/h9-15,17-25,27-48H,16,26H2,1-8H3.
What are the key properties of 9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine?
9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine has a molecular weight of 1055.42 g/mol, XLogP of 21.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine is sourced from PubChem (CID 89187193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).