(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

C97H90N2Si — CID 123637096

IUPAC(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
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(-c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3ccc([Si](c4ccccc4)(c4ccc(C)cc4)c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3)cc21
InChIInChI=1S/C97H90N2Si/c1-5-7-9-11-13-25-63-97(64-26-14-12-10-8-6-2)91-67-77(73-43-41-72(42-44-73)71-39-35-69(3)36-40-71)47-59-85(91)86-60-48-78(68-92(86)97)74-45-55-83(56-46-74)100(81-29-19-16-20-30-81,82-53-37-70(4)38-54-82)84-57-51-80(52-58-84)99-94-34-24-22-32-88(94)90-66-76(50-62-96(90)99)75-49-61-95-89(65-75)87-31-21-23-33-93(87)98(95)79-27-17-15-18-28-79/h15-24,27-62,65-68H,5-14,25-26,63-64H2,1-4H3
InChIKeyBNCIDSDTGMGNNY-UHFFFAOYSA-N
MW1311.89 g/mol
LogP24.31
Rot. Bonds24

About (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

(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 (PubChem CID 123637096) has the molecular formula C97H90N2Si and a molecular weight of 1311.89 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID123637096
Molecular FormulaC97H90N2Si
Molecular Weight1311.89 g/mol
Exact Mass1310.69
IUPAC Name(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
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(-c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3ccc([Si](c4ccccc4)(c4ccc(C)cc4)c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3)cc21
InChIInChI=1S/C97H90N2Si/c1-5-7-9-11-13-25-63-97(64-26-14-12-10-8-6-2)91-67-77(73-43-41-72(42-44-73)71-39-35-69(3)36-40-71)47-59-85(91)86-60-48-78(68-92(86)97)74-45-55-83(56-46-74)100(81-29-19-16-20-30-81,82-53-37-70(4)38-54-82)84-57-51-80(52-58-84)99-94-34-24-22-32-88(94)90-66-76(50-62-96(90)99)75-49-61-95-89(65-75)87-31-21-23-33-93(87)98(95)79-27-17-15-18-28-79/h15-24,27-62,65-68H,5-14,25-26,63-64H2,1-4H3
InChIKeyBNCIDSDTGMGNNY-UHFFFAOYSA-N
XLogP24.31
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001311.89
LogP ≤ 524.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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-[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
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
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
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
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-[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
[9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane
CID 88881201
[4-[7-[4-[9,9-dioctyl-7-(4-triphenylsilylphenyl)fluoren-2-yl]-2,1,3-benzothiadiazol-7-yl]-9,9-dioctylfluoren-2-yl]phenyl]-triphenylsilane
CID 168726795
[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane
CID 140778740
diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140842607
2-(4-tert-butylphenyl)-5-[4-[7-(7-carbazol-9-yl-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]-1,3,4-oxadiazole
CID 102451900

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(-c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3ccc([Si](c4ccccc4)(c4ccc(C)cc4)c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3)cc21.
What is the InChIKey of (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?
The InChIKey is BNCIDSDTGMGNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H90N2Si/c1-5-7-9-11-13-25-63-97(64-26-14-12-10-8-6-2)91-67-77(73-43-41-72(42-44-73)71-39-35-69(3)36-40-71)47-59-85(91)86-60-48-78(68-92(86)97)74-45-55-83(56-46-74)100(81-29-19-16-20-30-81,82-53-37-70(4)38-54-82)84-57-51-80(52-58-84)99-94-34-24-22-32-88(94)90-66-76(50-62-96(90)99)75-49-61-95-89(65-75)87-31-21-23-33-93(87)98(95)79-27-17-15-18-28-79/h15-24,27-62,65-68H,5-14,25-26,63-64H2,1-4H3.
What are the key properties of (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?
(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 has a molecular weight of 1311.89 g/mol, XLogP of 24.31, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 123637096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).