[4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C132H97BrF2N4Si2 — CID 159310083

IUPAC[4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESFc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(Br)cc3)cc2)cc1.Fc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc2)cc1.[H][2H].c1ccc(-c2ccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C66H47FN2Si.C36H26N2.C30H22BrFSi.H2/c67-54-34-44-62(45-35-54)70(59-19-9-3-10-20-59,60-21-11-4-12-22-60)61-42-31-51(32-43-61)50-27-38-57(39-28-50)68(56-36-25-49(26-37-56)48-15-5-1-6-16-48)58-40-29-52(30-41-58)53-33-46-66-64(47-53)63-23-13-14-24-65(63)69(66)55-17-7-2-8-18-55;1-3-9-26(10-4-1)27-15-20-30(21-16-27)37-31-22-17-28(18-23-31)29-19-24-36-34(25-29)33-13-7-8-14-35(33)38(36)32-11-5-2-6-12-32;31-25-15-11-23(12-16-25)24-13-19-29(20-14-24)33(27-7-3-1-4-8-27,28-9-5-2-6-10-28)30-21-17-26(32)18-22-30;/h1-47H;1-25,37H;1-22H;1H/i;;;1+1
InChIKeyLCKPOHPMQGCYGA-SGNQUONSSA-N
MW1914.33 g/mol
LogP30.51
Rot. Bonds21

About [4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

[4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 159310083) has the molecular formula C132H97BrF2N4Si2 and a molecular weight of 1914.33 g/mol. Its IUPAC name is [4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound Name[4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID159310083
Molecular FormulaC132H97BrF2N4Si2
Molecular Weight1914.33 g/mol
Exact Mass1911.65
IUPAC Name[4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESFc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(Br)cc3)cc2)cc1.Fc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc2)cc1.[H][2H].c1ccc(-c2ccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C66H47FN2Si.C36H26N2.C30H22BrFSi.H2/c67-54-34-44-62(45-35-54)70(59-19-9-3-10-20-59,60-21-11-4-12-22-60)61-42-31-51(32-43-61)50-27-38-57(39-28-50)68(56-36-25-49(26-37-56)48-15-5-1-6-16-48)58-40-29-52(30-41-58)53-33-46-66-64(47-53)63-23-13-14-24-65(63)69(66)55-17-7-2-8-18-55;1-3-9-26(10-4-1)27-15-20-30(21-16-27)37-31-22-17-28(18-23-31)29-19-24-36-34(25-29)33-13-7-8-14-35(33)38(36)32-11-5-2-6-12-32;31-25-15-11-23(12-16-25)24-13-19-29(20-14-24)33(27-7-3-1-4-8-27,28-9-5-2-6-10-28)30-21-17-26(32)18-22-30;/h1-47H;1-25,37H;1-22H;1H/i;;;1+1
InChIKeyLCKPOHPMQGCYGA-SGNQUONSSA-N
XLogP30.51
TPSA25.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001914.33
LogP ≤ 530.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline with MolForge

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Related Compounds

9-[4-(4-bromophenyl)phenyl]-10-phenylanthracene;N-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159237953
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline
CID 90195275
N-(4-fluorophenyl)-4-(9-phenylcarbazol-3-yl)aniline
CID 59828035
2-(4-bromophenyl)-9-phenylcarbazole;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 160525115
N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 66584191
4-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-N-(4-triphenylsilylphenyl)aniline
CID 123610443
N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
CID 138528996
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 90195243
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline
CID 90193949
2-(4-bromophenyl)naphthalene;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159016137
9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720545
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline
CID 123365775

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of [4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 159310083) is [4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for [4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for [4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is Fc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(Br)cc3)cc2)cc1.Fc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc2)cc1.[H][2H].c1ccc(-c2ccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of [4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is LCKPOHPMQGCYGA-SGNQUONSSA-N. The full InChI is InChI=1S/C66H47FN2Si.C36H26N2.C30H22BrFSi.H2/c67-54-34-44-62(45-35-54)70(59-19-9-3-10-20-59,60-21-11-4-12-22-60)61-42-31-51(32-43-61)50-27-38-57(39-28-50)68(56-36-25-49(26-37-56)48-15-5-1-6-16-48)58-40-29-52(30-41-58)53-33-46-66-64(47-53)63-23-13-14-24-65(63)69(66)55-17-7-2-8-18-55;1-3-9-26(10-4-1)27-15-20-30(21-16-27)37-31-22-17-28(18-23-31)29-19-24-36-34(25-29)33-13-7-8-14-35(33)38(36)32-11-5-2-6-12-32;31-25-15-11-23(12-16-25)24-13-19-29(20-14-24)33(27-7-3-1-4-8-27,28-9-5-2-6-10-28)30-21-17-26(32)18-22-30;/h1-47H;1-25,37H;1-22H;1H/i;;;1+1.
What are the key properties of [4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
[4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 1914.33 g/mol, XLogP of 30.51, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)phenyl]-(4-fluorophenyl)-diphenylsilane;deuterium monohydride;N-[4-[4-[(4-fluorophenyl)-diphenylsilyl]phenyl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 159310083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).