N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine

C78H56FN3Si2 — CID 59381378

IUPACN-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine
SMILESFc1ccc(N(c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccccc2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C78H56FN3Si2/c79-57-41-43-60(44-42-57)80(61-45-49-75-71(53-61)73-55-69(47-51-77(73)81(75)58-25-9-1-10-26-58)83(63-29-13-3-14-30-63,64-31-15-4-16-32-64)65-33-17-5-18-34-65)62-46-50-76-72(54-62)74-56-70(48-52-78(74)82(76)59-27-11-2-12-28-59)84(66-35-19-6-20-36-66,67-37-21-7-22-38-67)68-39-23-8-24-40-68/h1-56H
InChIKeyJWPFHKLVZUANBD-UHFFFAOYSA-N
MW1110.50 g/mol
LogP14.24
Rot. Bonds13

About N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine

N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine (PubChem CID 59381378) has the molecular formula C78H56FN3Si2 and a molecular weight of 1110.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine
PubChem CID59381378
Molecular FormulaC78H56FN3Si2
Molecular Weight1110.50 g/mol
Exact Mass1109.40
IUPAC NameN-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine
SMILESFc1ccc(N(c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccccc2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C78H56FN3Si2/c79-57-41-43-60(44-42-57)80(61-45-49-75-71(53-61)73-55-69(47-51-77(73)81(75)58-25-9-1-10-26-58)83(63-29-13-3-14-30-63,64-31-15-4-16-32-64)65-33-17-5-18-34-65)62-46-50-76-72(54-62)74-56-70(48-52-78(74)82(76)59-27-11-2-12-28-59)84(66-35-19-6-20-36-66,67-37-21-7-22-38-67)68-39-23-8-24-40-68/h1-56H
InChIKeyJWPFHKLVZUANBD-UHFFFAOYSA-N
XLogP14.24
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001110.50
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720504
9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720545
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720542
N-naphthalen-2-yl-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine
CID 59720564
4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine
CID 59720447
N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine
CID 59720498
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine
CID 59720567
4-(N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-4-isocyanoanilino)benzonitrile
CID 88953993
CID 159857083
CID 159857083
N,N-diphenyl-4-[(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilyl]aniline
CID 158793280
CID 161109385
CID 161109385

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine?
The IUPAC name of N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine (CID 59381378) is N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine is Fc1ccc(N(c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccccc2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine?
The InChIKey is JWPFHKLVZUANBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56FN3Si2/c79-57-41-43-60(44-42-57)80(61-45-49-75-71(53-61)73-55-69(47-51-77(73)81(75)58-25-9-1-10-26-58)83(63-29-13-3-14-30-63,64-31-15-4-16-32-64)65-33-17-5-18-34-65)62-46-50-76-72(54-62)74-56-70(48-52-78(74)82(76)59-27-11-2-12-28-59)84(66-35-19-6-20-36-66,67-37-21-7-22-38-67)68-39-23-8-24-40-68/h1-56H.
What are the key properties of N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine?
N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine has a molecular weight of 1110.50 g/mol, XLogP of 14.24, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine is sourced from PubChem (CID 59381378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).