trimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane

C45H35N3OSi — CID 176845143

IUPACtrimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane
SMILESC[Si](C)(C)c1cccc(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccc6c(c5)C5c7ccccc7C6c6ccccc65)c4n3)n2)c1
InChIInChI=1S/C45H35N3OSi/c1-50(2,3)30-13-10-12-28(26-30)39-19-11-21-41(46-39)49-42-25-24-37-31-14-8-9-20-40(31)48(45(37)47-42)29-22-23-36-38(27-29)44-34-17-6-4-15-32(34)43(36)33-16-5-7-18-35(33)44/h4-27,43-44H,1-3H3
InChIKeyZVPIDKQMOOACLS-UHFFFAOYSA-N
MW661.88 g/mol
LogP10.57
Rot. Bonds5

About trimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane

trimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane (PubChem CID 176845143) has the molecular formula C45H35N3OSi and a molecular weight of 661.88 g/mol. Its IUPAC name is trimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane
PubChem CID176845143
Molecular FormulaC45H35N3OSi
Molecular Weight661.88 g/mol
Exact Mass661.25
IUPAC Nametrimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane
SMILESC[Si](C)(C)c1cccc(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccc6c(c5)C5c7ccccc7C6c6ccccc65)c4n3)n2)c1
InChIInChI=1S/C45H35N3OSi/c1-50(2,3)30-13-10-12-28(26-30)39-19-11-21-41(46-39)49-42-25-24-37-31-14-8-9-20-40(31)48(45(37)47-42)29-22-23-36-38(27-29)44-34-17-6-4-15-32(34)43(36)33-16-5-7-18-35(33)44/h4-27,43-44H,1-3H3
InChIKeyZVPIDKQMOOACLS-UHFFFAOYSA-N
XLogP10.57
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.88
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 176845142
CID 176845142
2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole
CID 140680894
2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol
CID 164823591
9-[3-[2-[11-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165151617
9-[4-[2-[11-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165151410
9-[8-[6-(9H-fluoren-9-yl)-2-pyridinyl]dibenzofuran-2-yl]carbazole
CID 164714412
9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
2-[3-(1-methyl-2H-imidazo[1,2-a]pyridin-1-ium-2-id-3-yl)phenoxy]-9-phenylpyrido[2,3-b]indole
CID 162234719
9-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433742
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole
CID 176750330
3-(9-phenylcarbazol-2-yl)-9-[3-(6-triphenylen-2-yl-2-pyridinyl)phenyl]carbazole
CID 118509091
2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole
CID 140775651

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane?
The IUPAC name of trimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane (CID 176845143) is trimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane.
What is the SMILES notation for trimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane?
The canonical SMILES for trimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane is C[Si](C)(C)c1cccc(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccc6c(c5)C5c7ccccc7C6c6ccccc65)c4n3)n2)c1.
What is the InChIKey of trimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane?
The InChIKey is ZVPIDKQMOOACLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N3OSi/c1-50(2,3)30-13-10-12-28(26-30)39-19-11-21-41(46-39)49-42-25-24-37-31-14-8-9-20-40(31)48(45(37)47-42)29-22-23-36-38(27-29)44-34-17-6-4-15-32(34)43(36)33-16-5-7-18-35(33)44/h4-27,43-44H,1-3H3.
What are the key properties of trimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane?
trimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane has a molecular weight of 661.88 g/mol, XLogP of 10.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane is sourced from PubChem (CID 176845143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).