N-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine

C60H45NOSi — CID 162464906

IUPACN-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine
SMILESC1=CCCC(c2ccccc2N(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc3c(c2)oc2cc(-c4ccccc4)ccc23)=C1
InChIInChI=1S/C60H45NOSi/c1-6-18-44(19-7-1)48-34-40-56-57-41-37-50(43-60(57)62-59(56)42-48)61(58-29-17-16-28-55(58)47-20-8-2-9-21-47)49-35-30-45(31-36-49)46-32-38-54(39-33-46)63(51-22-10-3-11-23-51,52-24-12-4-13-25-52)53-26-14-5-15-27-53/h1-8,10-20,22-43H,9,21H2
InChIKeyJNXVVLDPVCYFFZ-UHFFFAOYSA-N
MW824.11 g/mol
LogP13.50
Rot. Bonds10

About N-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine

N-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 162464906) has the molecular formula C60H45NOSi and a molecular weight of 824.11 g/mol. Its IUPAC name is N-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID162464906
Molecular FormulaC60H45NOSi
Molecular Weight824.11 g/mol
Exact Mass823.33
IUPAC NameN-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine
SMILESC1=CCCC(c2ccccc2N(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc3c(c2)oc2cc(-c4ccccc4)ccc23)=C1
InChIInChI=1S/C60H45NOSi/c1-6-18-44(19-7-1)48-34-40-56-57-41-37-50(43-60(57)62-59(56)42-48)61(58-29-17-16-28-55(58)47-20-8-2-9-21-47)49-35-30-45(31-36-49)46-32-38-54(39-33-46)63(51-22-10-3-11-23-51,52-24-12-4-13-25-52)53-26-14-5-15-27-53/h1-8,10-20,22-43H,9,21H2
InChIKeyJNXVVLDPVCYFFZ-UHFFFAOYSA-N
XLogP13.50
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.11
LogP ≤ 513.50
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-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 170094690
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172503158
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 123398837
N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-(7-phenyldibenzothiophen-3-yl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine;7-phenyl-N-(2-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine
CID 163707949
2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167235532
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylsilylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]fluoren-2-amine
CID 160905094
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
2,5-diphenyl-N-(2-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline;2,5-diphenyl-N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 158589240
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 170095547
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254314

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine (CID 162464906) is N-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine is C1=CCCC(c2ccccc2N(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc3c(c2)oc2cc(-c4ccccc4)ccc23)=C1.
What is the InChIKey of N-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is JNXVVLDPVCYFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NOSi/c1-6-18-44(19-7-1)48-34-40-56-57-41-37-50(43-60(57)62-59(56)42-48)61(58-29-17-16-28-55(58)47-20-8-2-9-21-47)49-35-30-45(31-36-49)46-32-38-54(39-33-46)63(51-22-10-3-11-23-51,52-24-12-4-13-25-52)53-26-14-5-15-27-53/h1-8,10-20,22-43H,9,21H2.
What are the key properties of N-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine?
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 824.11 g/mol, XLogP of 13.50, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 162464906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).