7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine

C113H96N4O2 — CID 88849098

IUPAC7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(-c4ccc(N5c6ccccc6C6C=CC=CC65)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C113H96N4O2/c1-3-5-7-9-11-25-73-113(74-26-12-10-8-6-4-2)103-75-89(114(85-65-53-81(54-66-85)91-35-27-37-101-99-33-17-23-43-109(99)118-111(91)101)83-57-45-77(46-58-83)79-49-61-87(62-50-79)116-105-39-19-13-29-95(105)96-30-14-20-40-106(96)116)69-71-93(103)94-72-70-90(76-104(94)113)115(86-67-55-82(56-68-86)92-36-28-38-102-100-34-18-24-44-110(100)119-112(92)102)84-59-47-78(48-60-84)80-51-63-88(64-52-80)117-107-41-21-15-31-97(107)98-32-16-22-42-108(98)117/h13-24,27-72,75-76,95,105H,3-12,25-26,73-74H2,1-2H3
InChIKeyXEHUSMDJRCANCW-UHFFFAOYSA-N
MW1542.04 g/mol
LogP32.69
Rot. Bonds26

About 7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine

7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine (PubChem CID 88849098) has the molecular formula C113H96N4O2 and a molecular weight of 1542.04 g/mol. Its IUPAC name is 7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine.

Molecular Properties

Compound Name7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine
PubChem CID88849098
Molecular FormulaC113H96N4O2
Molecular Weight1542.04 g/mol
Exact Mass1540.75
IUPAC Name7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(-c4ccc(N5c6ccccc6C6C=CC=CC65)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C113H96N4O2/c1-3-5-7-9-11-25-73-113(74-26-12-10-8-6-4-2)103-75-89(114(85-65-53-81(54-66-85)91-35-27-37-101-99-33-17-23-43-109(99)118-111(91)101)83-57-45-77(46-58-83)79-49-61-87(62-50-79)116-105-39-19-13-29-95(105)96-30-14-20-40-106(96)116)69-71-93(103)94-72-70-90(76-104(94)113)115(86-67-55-82(56-68-86)92-36-28-38-102-100-34-18-24-44-110(100)119-112(92)102)84-59-47-78(48-60-84)80-51-63-88(64-52-80)117-107-41-21-15-31-97(107)98-32-16-22-42-108(98)117/h13-24,27-72,75-76,95,105H,3-12,25-26,73-74H2,1-2H3
InChIKeyXEHUSMDJRCANCW-UHFFFAOYSA-N
XLogP32.69
TPSA40.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001542.04
LogP ≤ 532.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine with MolForge

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-[7-[4-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-5-[4-[6-[4-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-5-[4-[7-[4-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-5-phenylphenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-5-phenylphenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 140820298
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
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]fluorene-2,7-diamine
CID 158626381
9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole
CID 155237382
7-carbazol-9-yl-N-[4-[3-[3-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 88848908
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 161439456
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
9-[6-[3-[2-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163612002
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-9-[2-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 164971651
9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 90085878

Frequently Asked Questions

What is the IUPAC name of 7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine?
The IUPAC name of 7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine (CID 88849098) is 7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine.
What is the SMILES notation for 7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine?
The canonical SMILES for 7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine is CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(-c4ccc(N5c6ccccc6C6C=CC=CC65)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21.
What is the InChIKey of 7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine?
The InChIKey is XEHUSMDJRCANCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C113H96N4O2/c1-3-5-7-9-11-25-73-113(74-26-12-10-8-6-4-2)103-75-89(114(85-65-53-81(54-66-85)91-35-27-37-101-99-33-17-23-43-109(99)118-111(91)101)83-57-45-77(46-58-83)79-49-61-87(62-50-79)116-105-39-19-13-29-95(105)96-30-14-20-40-106(96)116)69-71-93(103)94-72-70-90(76-104(94)113)115(86-67-55-82(56-68-86)92-36-28-38-102-100-34-18-24-44-110(100)119-112(92)102)84-59-47-78(48-60-84)80-51-63-88(64-52-80)117-107-41-21-15-31-97(107)98-32-16-22-42-108(98)117/h13-24,27-72,75-76,95,105H,3-12,25-26,73-74H2,1-2H3.
What are the key properties of 7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine?
7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine has a molecular weight of 1542.04 g/mol, XLogP of 32.69, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine is sourced from PubChem (CID 88849098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).