9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole

C76H62N2 — CID 139501194

IUPAC9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole
SMILESCCCCC1(CCCC)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7cccc(-c8cccc(C)c8)c7)c6)ccc54)cc3)cc21
InChIInChI=1S/C76H62N2/c1-4-6-43-76(44-7-5-2)70-49-60(52-29-36-62(37-30-52)77-72-26-11-8-23-66(72)67-24-9-12-27-73(67)77)33-40-64(70)65-41-34-61(50-71(65)76)53-31-38-63(39-32-53)78-74-28-13-10-25-68(74)69-48-59(35-42-75(69)78)58-22-16-21-57(47-58)56-20-15-19-55(46-56)54-18-14-17-51(3)45-54/h8-42,45-50H,4-7,43-44H2,1-3H3
InChIKeyMRSCMYKBROVHTF-UHFFFAOYSA-N
MW1003.35 g/mol
LogP21.17
Rot. Bonds13

About 9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole

9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole (PubChem CID 139501194) has the molecular formula C76H62N2 and a molecular weight of 1003.35 g/mol. Its IUPAC name is 9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole
PubChem CID139501194
Molecular FormulaC76H62N2
Molecular Weight1003.35 g/mol
Exact Mass1002.49
IUPAC Name9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole
SMILESCCCCC1(CCCC)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7cccc(-c8cccc(C)c8)c7)c6)ccc54)cc3)cc21
InChIInChI=1S/C76H62N2/c1-4-6-43-76(44-7-5-2)70-49-60(52-29-36-62(37-30-52)77-72-26-11-8-23-66(72)67-24-9-12-27-73(67)77)33-40-64(70)65-41-34-61(50-71(65)76)53-31-38-63(39-32-53)78-74-28-13-10-25-68(74)69-48-59(35-42-75(69)78)58-22-16-21-57(47-58)56-20-15-19-55(46-56)54-18-14-17-51(3)45-54/h8-42,45-50H,4-7,43-44H2,1-3H3
InChIKeyMRSCMYKBROVHTF-UHFFFAOYSA-N
XLogP21.17
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.35
LogP ≤ 521.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-[4-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-phenyl-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane
CID 123637096
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
3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160753219
9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 90085878
9-[4-[(E)-2-[7-[7-[7-[7-[7-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]ethenyl]phenyl]carbazole
CID 164784808
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole
CID 118345900
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
9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 67678311
3-carbazol-9-yl-9-[4-[4-(3-methylphenyl)phenyl]phenyl]carbazole
CID 170198467
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
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole
CID 145340655
7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine
CID 121324360

Frequently Asked Questions

What is the IUPAC name of 9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole (CID 139501194) is 9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole is CCCCC1(CCCC)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7cccc(-c8cccc(C)c8)c7)c6)ccc54)cc3)cc21.
What is the InChIKey of 9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole?
The InChIKey is MRSCMYKBROVHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H62N2/c1-4-6-43-76(44-7-5-2)70-49-60(52-29-36-62(37-30-52)77-72-26-11-8-23-66(72)67-24-9-12-27-73(67)77)33-40-64(70)65-41-34-61(50-71(65)76)53-31-38-63(39-32-53)78-74-28-13-10-25-68(74)69-48-59(35-42-75(69)78)58-22-16-21-57(47-58)56-20-15-19-55(46-56)54-18-14-17-51(3)45-54/h8-42,45-50H,4-7,43-44H2,1-3H3.
What are the key properties of 9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole?
9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole has a molecular weight of 1003.35 g/mol, XLogP of 21.17, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 139501194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).