4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine

C64H47N3Si — CID 59720447

IUPAC4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)c3cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H47N3Si/c1-7-23-50(24-8-1)65(51-25-9-2-10-26-51)53-37-39-54(40-38-53)66(55-36-35-48-21-19-20-22-49(48)45-55)56-41-43-63-61(46-56)62-47-60(42-44-64(62)67(63)52-27-11-3-12-28-52)68(57-29-13-4-14-30-57,58-31-15-5-16-32-58)59-33-17-6-18-34-59/h1-47H
InChIKeyKVQFMWBRCYINIQ-UHFFFAOYSA-N
MW886.19 g/mol
LogP14.25
Rot. Bonds11

About 4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine

4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine (PubChem CID 59720447) has the molecular formula C64H47N3Si and a molecular weight of 886.19 g/mol. Its IUPAC name is 4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine
PubChem CID59720447
Molecular FormulaC64H47N3Si
Molecular Weight886.19 g/mol
Exact Mass885.35
IUPAC Name4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)c3cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H47N3Si/c1-7-23-50(24-8-1)65(51-25-9-2-10-26-51)53-37-39-54(40-38-53)66(55-36-35-48-21-19-20-22-49(48)45-55)56-41-43-63-61(46-56)62-47-60(42-44-64(62)67(63)52-27-11-3-12-28-52)68(57-29-13-4-14-30-57,58-31-15-5-16-32-58)59-33-17-6-18-34-59/h1-47H
InChIKeyKVQFMWBRCYINIQ-UHFFFAOYSA-N
XLogP14.25
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.19
LogP ≤ 514.25
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

N-naphthalen-2-yl-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine
CID 59720564
N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine
CID 59720567
N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine
CID 59381378
N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine
CID 90306227
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720545
N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 123397867
9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720504
CID 161109385
CID 161109385
N,N-diphenyl-4-[(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilyl]aniline
CID 158793280
N-(4-bromophenyl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 118632291
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733

Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine (CID 59720447) is 4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine is c1ccc(N(c2ccccc2)c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)c3cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine?
The InChIKey is KVQFMWBRCYINIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N3Si/c1-7-23-50(24-8-1)65(51-25-9-2-10-26-51)53-37-39-54(40-38-53)66(55-36-35-48-21-19-20-22-49(48)45-55)56-41-43-63-61(46-56)62-47-60(42-44-64(62)67(63)52-27-11-3-12-28-52)68(57-29-13-4-14-30-57,58-31-15-5-16-32-58)59-33-17-6-18-34-59/h1-47H.
What are the key properties of 4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine?
4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine has a molecular weight of 886.19 g/mol, XLogP of 14.25, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 59720447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).