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

C93H106N2 — CID 170261213

IUPACN-[4-(9,9-didodecyl-7-methylfluoren-2-yl)phenyl]-N-[4-[9-[3-[4-(4-hexylphenyl)phenyl]phenyl]carbazol-3-yl]phenyl]-4-methylaniline
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc(-c7ccc(CCCCCC)cc7)cc6)c5)cc4)cc3)cc21
InChIInChI=1S/C93H106N2/c1-6-9-12-15-17-19-21-23-25-30-64-93(65-31-26-24-22-20-18-16-13-10-7-2)89-66-71(5)40-61-85(89)86-62-53-80(69-90(86)93)77-51-59-83(60-52-77)94(81-55-38-70(4)39-56-81)82-57-49-76(50-58-82)79-54-63-92-88(68-79)87-36-28-29-37-91(87)95(92)84-35-32-34-78(67-84)75-47-45-74(46-48-75)73-43-41-72(42-44-73)33-27-14-11-8-3/h28-29,32,34-63,66-69H,6-27,30-31,33,64-65H2,1-5H3
InChIKeyXNDQKBBZKDKFJT-UHFFFAOYSA-N
MW1251.88 g/mol
LogP28.55
Rot. Bonds35

About 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

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 (PubChem CID 170261213) has the molecular formula C93H106N2 and a molecular weight of 1251.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[4-(9,9-didodecyl-7-methylfluoren-2-yl)phenyl]-N-[4-[9-[3-[4-(4-hexylphenyl)phenyl]phenyl]carbazol-3-yl]phenyl]-4-methylaniline
PubChem CID170261213
Molecular FormulaC93H106N2
Molecular Weight1251.88 g/mol
Exact Mass1250.84
IUPAC NameN-[4-(9,9-didodecyl-7-methylfluoren-2-yl)phenyl]-N-[4-[9-[3-[4-(4-hexylphenyl)phenyl]phenyl]carbazol-3-yl]phenyl]-4-methylaniline
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc(-c7ccc(CCCCCC)cc7)cc6)c5)cc4)cc3)cc21
InChIInChI=1S/C93H106N2/c1-6-9-12-15-17-19-21-23-25-30-64-93(65-31-26-24-22-20-18-16-13-10-7-2)89-66-71(5)40-61-85(89)86-62-53-80(69-90(86)93)77-51-59-83(60-52-77)94(81-55-38-70(4)39-56-81)82-57-49-76(50-58-82)79-54-63-92-88(68-79)87-36-28-29-37-91(87)95(92)84-35-32-34-78(67-84)75-47-45-74(46-48-75)73-43-41-72(42-44-73)33-27-14-11-8-3/h28-29,32,34-63,66-69H,6-27,30-31,33,64-65H2,1-5H3
InChIKeyXNDQKBBZKDKFJT-UHFFFAOYSA-N
XLogP28.55
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001251.88
LogP ≤ 528.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
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
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
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-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole
CID 139501194
9,9-bis[4-(3-ethenylphenyl)butyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;2-N,7-N-bis(4-ethenylphenyl)-9,9-dihexyl-2-N,7-N-diphenylfluorene-2,7-diamine;4-ethenyl-N,N-bis(4-ethenylphenyl)aniline;4-ethenyl-N-[4-[4-(N-(4-ethenylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;N-(3-ethenylphenyl)-N-[4-[4-[4-[4-(N-(3-ethenylphenyl)-3-methylanilino)phenyl]phenyl]phenyl]phenyl]-3-methylaniline
CID 162117695
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
N-[4-[9-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 153472874
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
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,7-dimethyl-9,9-dioctylfluorene
CID 90971481

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc(-c7ccc(CCCCCC)cc7)cc6)c5)cc4)cc3)cc21.
What is the InChIKey of 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?
The InChIKey is XNDQKBBZKDKFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H106N2/c1-6-9-12-15-17-19-21-23-25-30-64-93(65-31-26-24-22-20-18-16-13-10-7-2)89-66-71(5)40-61-85(89)86-62-53-80(69-90(86)93)77-51-59-83(60-52-77)94(81-55-38-70(4)39-56-81)82-57-49-76(50-58-82)79-54-63-92-88(68-79)87-36-28-29-37-91(87)95(92)84-35-32-34-78(67-84)75-47-45-74(46-48-75)73-43-41-72(42-44-73)33-27-14-11-8-3/h28-29,32,34-63,66-69H,6-27,30-31,33,64-65H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 1251.88 g/mol, XLogP of 28.55, 35 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170261213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).