N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine

C99H114N2 — CID 177287687

IUPACN-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(CCCCCC)cc6)cc5)c5ccc6c(c5)C(C)(C)c5cc(C)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C99H114N2/c1-10-13-16-19-21-23-25-27-29-34-61-99(62-35-30-28-26-24-22-20-17-14-11-2)93-64-71(5)40-55-85(93)86-57-46-76(67-94(86)99)75-45-56-82-84-59-53-80(69-92(84)98(8,9)90(82)66-75)100(79-52-58-83-81-54-39-70(4)63-89(81)97(6,7)91(83)68-79)77-50-43-73(44-51-77)74-47-60-96-88(65-74)87-37-32-33-38-95(87)101(96)78-48-41-72(42-49-78)36-31-18-15-12-3/h32-33,37-60,63-69H,10-31,34-36,61-62H2,1-9H3
InChIKeyUSJBDGQPAXYELO-UHFFFAOYSA-N
MW1332.01 g/mol
LogP29.83
Rot. Bonds33

About N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine

N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine (PubChem CID 177287687) has the molecular formula C99H114N2 and a molecular weight of 1332.01 g/mol. Its IUPAC name is N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine
PubChem CID177287687
Molecular FormulaC99H114N2
Molecular Weight1332.01 g/mol
Exact Mass1330.90
IUPAC NameN-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(CCCCCC)cc6)cc5)c5ccc6c(c5)C(C)(C)c5cc(C)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C99H114N2/c1-10-13-16-19-21-23-25-27-29-34-61-99(62-35-30-28-26-24-22-20-17-14-11-2)93-64-71(5)40-55-85(93)86-57-46-76(67-94(86)99)75-45-56-82-84-59-53-80(69-92(84)98(8,9)90(82)66-75)100(79-52-58-83-81-54-39-70(4)63-89(81)97(6,7)91(83)68-79)77-50-43-73(44-51-77)74-47-60-96-88(65-74)87-37-32-33-38-95(87)101(96)78-48-41-72(42-49-78)36-31-18-15-12-3/h32-33,37-60,63-69H,10-31,34-36,61-62H2,1-9H3
InChIKeyUSJBDGQPAXYELO-UHFFFAOYSA-N
XLogP29.83
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001332.01
LogP ≤ 529.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine with MolForge

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Related Compounds

N-[4-(9,9-didodecyl-7-methylfluoren-2-yl)phenyl]-N-[4-[9-[3-[4-(4-hexylphenyl)phenyl]phenyl]carbazol-3-yl]phenyl]-4-methylaniline
CID 170261213
N-[4-(9,9-didodecyl-3,7-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[9-[9-(4-pentylphenyl)carbazol-2-yl]carbazol-2-yl]phenyl]aniline
CID 177287449
N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline
CID 170261189
4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
CID 170261145
12-[9-(11-formyloxyundecyl)-2-[4-(N-[4-[9-(4-hexylphenyl)carbazol-2-yl]phenyl]-4-methylanilino)phenyl]-7-methylfluoren-9-yl]dodecanoic acid
CID 171578944
9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 134212481
4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 159196354
N-[4-(6,7-dimethyl-9,9-dioctylfluoren-2-yl)phenyl]-4-methyl-N-[4-[9-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-2-yl]phenyl]aniline
CID 177287476
N-[4-[3-[4-[8-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)octyl]phenyl]-5-[4-[7-(4-methylphenyl)-9,9-dioctylfluoren-2-yl]phenyl]phenyl]phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 123393911
9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octylphenyl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155648216
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 71038279
N-[4-[9-[2,5-dihexyl-4-(9-methyl-7,7-dioctyl-2-phenylindeno[2,1-b]carbazol-5-yl)phenyl]-7,7-dioctyl-2-phenylindeno[2,1-b]carbazol-5-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 153472803

Frequently Asked Questions

What is the IUPAC name of N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine?
The IUPAC name of N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine (CID 177287687) is N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine.
What is the SMILES notation for N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine?
The canonical SMILES for N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine is CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(CCCCCC)cc6)cc5)c5ccc6c(c5)C(C)(C)c5cc(C)ccc5-6)ccc3-4)cc21.
What is the InChIKey of N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine?
The InChIKey is USJBDGQPAXYELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H114N2/c1-10-13-16-19-21-23-25-27-29-34-61-99(62-35-30-28-26-24-22-20-17-14-11-2)93-64-71(5)40-55-85(93)86-57-46-76(67-94(86)99)75-45-56-82-84-59-53-80(69-92(84)98(8,9)90(82)66-75)100(79-52-58-83-81-54-39-70(4)63-89(81)97(6,7)91(83)68-79)77-50-43-73(44-51-77)74-47-60-96-88(65-74)87-37-32-33-38-95(87)101(96)78-48-41-72(42-49-78)36-31-18-15-12-3/h32-33,37-60,63-69H,10-31,34-36,61-62H2,1-9H3.
What are the key properties of N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine?
N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine has a molecular weight of 1332.01 g/mol, XLogP of 29.83, 33 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine is sourced from PubChem (CID 177287687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).