4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline

C60H48N2O4S2Si — CID 122388645

IUPAC4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc3[Si]4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C60H48N2O4S2Si/c1-63-49-31-23-45(24-32-49)61(46-25-33-50(64-2)34-26-46)43-19-15-41(16-20-43)55-39-57-59(67-55)60-58(69(57,53-11-7-5-8-12-53)54-13-9-6-10-14-54)40-56(68-60)42-17-21-44(22-18-42)62(47-27-35-51(65-3)36-28-47)48-29-37-52(66-4)38-30-48/h5-40H,1-4H3
InChIKeyRLIVFBSQFUXSRA-UHFFFAOYSA-N
MW953.27 g/mol
LogP13.48
Rot. Bonds14

About 4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline

4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline (PubChem CID 122388645) has the molecular formula C60H48N2O4S2Si and a molecular weight of 953.27 g/mol. Its IUPAC name is 4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline
PubChem CID122388645
Molecular FormulaC60H48N2O4S2Si
Molecular Weight953.27 g/mol
Exact Mass952.28
IUPAC Name4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc3[Si]4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C60H48N2O4S2Si/c1-63-49-31-23-45(24-32-49)61(46-25-33-50(64-2)34-26-46)43-19-15-41(16-20-43)55-39-57-59(67-55)60-58(69(57,53-11-7-5-8-12-53)54-13-9-6-10-14-54)40-56(68-60)42-17-21-44(22-18-42)62(47-27-35-51(65-3)36-28-47)48-29-37-52(66-4)38-30-48/h5-40H,1-4H3
InChIKeyRLIVFBSQFUXSRA-UHFFFAOYSA-N
XLogP13.48
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.27
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline with MolForge

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Related Compounds

4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline
CID 118274774
6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 101349643
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
CID 101074592
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline
CID 20734414
4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236

Frequently Asked Questions

What is the IUPAC name of 4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline?
The IUPAC name of 4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline (CID 122388645) is 4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline?
The canonical SMILES for 4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline is COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc3[Si]4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline?
The InChIKey is RLIVFBSQFUXSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2O4S2Si/c1-63-49-31-23-45(24-32-49)61(46-25-33-50(64-2)34-26-46)43-19-15-41(16-20-43)55-39-57-59(67-55)60-58(69(57,53-11-7-5-8-12-53)54-13-9-6-10-14-54)40-56(68-60)42-17-21-44(22-18-42)62(47-27-35-51(65-3)36-28-47)48-29-37-52(66-4)38-30-48/h5-40H,1-4H3.
What are the key properties of 4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline?
4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline has a molecular weight of 953.27 g/mol, XLogP of 13.48, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline is sourced from PubChem (CID 122388645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).