9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine

C50H39FN2Si — CID 59720504

IUPAC9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(F)cc2)cc1
InChIInChI=1S/C50H39FN2Si/c1-36-18-24-39(25-19-36)52(40-26-20-37(2)21-27-40)42-30-32-49-47(34-42)48-35-46(31-33-50(48)53(49)41-28-22-38(51)23-29-41)54(43-12-6-3-7-13-43,44-14-8-4-9-15-44)45-16-10-5-11-17-45/h3-35H,1-2H3
InChIKeyDDQJACIDISHQQM-UHFFFAOYSA-N
MW714.96 g/mol
LogP10.39
Rot. Bonds8

About 9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine

9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine (PubChem CID 59720504) has the molecular formula C50H39FN2Si and a molecular weight of 714.96 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine.

Molecular Properties

Compound Name9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine
PubChem CID59720504
Molecular FormulaC50H39FN2Si
Molecular Weight714.96 g/mol
Exact Mass714.29
IUPAC Name9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(F)cc2)cc1
InChIInChI=1S/C50H39FN2Si/c1-36-18-24-39(25-19-36)52(40-26-20-37(2)21-27-40)42-30-32-49-47(34-42)48-35-46(31-33-50(48)53(49)41-28-22-38(51)23-29-41)54(43-12-6-3-7-13-43,44-14-8-4-9-15-44)45-16-10-5-11-17-45/h3-35H,1-2H3
InChIKeyDDQJACIDISHQQM-UHFFFAOYSA-N
XLogP10.39
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.96
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine
CID 59381378
9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720545
N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine
CID 59720567
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720542
4-(N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-4-isocyanoanilino)benzonitrile
CID 88953993
N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine
CID 59720498
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
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
9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine
CID 59844874
N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline
CID 90194000
9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)carbazol-2-yl]-4-methylanilino)phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 176642990

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine?
The IUPAC name of 9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine (CID 59720504) is 9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine.
What is the SMILES notation for 9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine?
The canonical SMILES for 9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(F)cc2)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine?
The InChIKey is DDQJACIDISHQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39FN2Si/c1-36-18-24-39(25-19-36)52(40-26-20-37(2)21-27-40)42-30-32-49-47(34-42)48-35-46(31-33-50(48)53(49)41-28-22-38(51)23-29-41)54(43-12-6-3-7-13-43,44-14-8-4-9-15-44)45-16-10-5-11-17-45/h3-35H,1-2H3.
What are the key properties of 9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine?
9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine has a molecular weight of 714.96 g/mol, XLogP of 10.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine is sourced from PubChem (CID 59720504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).