3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane

C128H85N5Si — CID 159810593

IUPAC3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
SMILES[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc43)cc2)c1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)c5)ccc43)c2)cc1
InChIInChI=1S/C66H46N2Si.C62H39N3/c1-5-20-47(21-6-1)48-22-17-25-53(42-48)67-63-36-15-13-34-59(63)61-45-51(38-40-65(61)67)52-39-41-66-62(46-52)60-35-14-16-37-64(60)68(66)54-26-18-23-49(43-54)50-24-19-33-58(44-50)69(55-27-7-2-8-28-55,56-29-9-3-10-30-56)57-31-11-4-12-32-57;1-63-47-20-14-15-42(37-47)41-27-31-48(32-28-41)64-58-25-12-9-22-52(58)54-38-43(29-35-60(54)64)44-30-36-61-55(39-44)53-23-10-13-26-59(53)65(61)49-33-34-51-50-21-8-11-24-56(50)62(57(51)40-49,45-16-4-2-5-17-45)46-18-6-3-7-19-46/h1-46H;2-40H
InChIKeyNKYXHJXQTWJDQQ-UHFFFAOYSA-N
MW1721.21 g/mol
LogP30.39
Rot. Bonds15

About 3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane

3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane (PubChem CID 159810593) has the molecular formula C128H85N5Si and a molecular weight of 1721.21 g/mol. Its IUPAC name is 3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane.

Molecular Properties

Compound Name3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
PubChem CID159810593
Molecular FormulaC128H85N5Si
Molecular Weight1721.21 g/mol
Exact Mass1719.66
IUPAC Name3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
SMILES[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc43)cc2)c1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)c5)ccc43)c2)cc1
InChIInChI=1S/C66H46N2Si.C62H39N3/c1-5-20-47(21-6-1)48-22-17-25-53(42-48)67-63-36-15-13-34-59(63)61-45-51(38-40-65(61)67)52-39-41-66-62(46-52)60-35-14-16-37-64(60)68(66)54-26-18-23-49(43-54)50-24-19-33-58(44-50)69(55-27-7-2-8-28-55,56-29-9-3-10-30-56)57-31-11-4-12-32-57;1-63-47-20-14-15-42(37-47)41-27-31-48(32-28-41)64-58-25-12-9-22-52(58)54-38-43(29-35-60(54)64)44-30-36-61-55(39-44)53-23-10-13-26-59(53)65(61)49-33-34-51-50-21-8-11-24-56(50)62(57(51)40-49,45-16-4-2-5-17-45)46-18-6-3-7-19-46/h1-46H;2-40H
InChIKeyNKYXHJXQTWJDQQ-UHFFFAOYSA-N
XLogP30.39
TPSA24.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001721.21
LogP ≤ 530.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
[3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[3-(9-phenylfluoren-9-yl)phenyl]silane
CID 155602586
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole
CID 158000972
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[4-[3-[9-[3-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590364
[3-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588499
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
CID 140782755

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane?
The IUPAC name of 3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane (CID 159810593) is 3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane.
What is the SMILES notation for 3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane?
The canonical SMILES for 3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane is [C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc43)cc2)c1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)c5)ccc43)c2)cc1.
What is the InChIKey of 3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane?
The InChIKey is NKYXHJXQTWJDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2Si.C62H39N3/c1-5-20-47(21-6-1)48-22-17-25-53(42-48)67-63-36-15-13-34-59(63)61-45-51(38-40-65(61)67)52-39-41-66-62(46-52)60-35-14-16-37-64(60)68(66)54-26-18-23-49(43-54)50-24-19-33-58(44-50)69(55-27-7-2-8-28-55,56-29-9-3-10-30-56)57-31-11-4-12-32-57;1-63-47-20-14-15-42(37-47)41-27-31-48(32-28-41)64-58-25-12-9-22-52(58)54-38-43(29-35-60(54)64)44-30-36-61-55(39-44)53-23-10-13-26-59(53)65(61)49-33-34-51-50-21-8-11-24-56(50)62(57(51)40-49,45-16-4-2-5-17-45)46-18-6-3-7-19-46/h1-46H;2-40H.
What are the key properties of 3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane?
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane has a molecular weight of 1721.21 g/mol, XLogP of 30.39, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane is sourced from PubChem (CID 159810593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).