9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile

C55H35N3OSi — CID 140842581

About 9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile

9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile (PubChem CID 140842581) has the molecular formula C55H35N3OSi and a molecular weight of 781.99 g/mol. Its IUPAC name is 9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile
• PubChem CID: 140842581
• Molecular Formula: C55H35N3OSi
• Molecular Weight: 781.99 g/mol
• Exact Mass: 781.25
• IUPAC Name: 9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)cc2)c1
• InChI: InChI=1S/C55H35N3OSi/c56-36-37-26-31-50-47(34-37)44-20-7-10-23-48(44)58(50)39-14-13-19-43(35-39)60(40-15-3-1-4-16-40,41-17-5-2-6-18-41)42-29-27-38(28-30-42)57-49-24-11-8-21-45(49)54-51(57)32-33-53-55(54)46-22-9-12-25-52(46)59-53/h1-35H
• InChIKey: APNGXMMJHOLXPL-UHFFFAOYSA-N
• XLogP: 11.03
• TPSA: 46.79 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.99
LogP ≤ 5	11.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile?

The IUPAC name of 9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile (CID 140842581) is 9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile.

What is the SMILES notation for 9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile?

The canonical SMILES for 9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)cc2)c1.

What is the InChIKey of 9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile?

The InChIKey is APNGXMMJHOLXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3OSi/c56-36-37-26-31-50-47(34-37)44-20-7-10-23-48(44)58(50)39-14-13-19-43(35-39)60(40-15-3-1-4-16-40,41-17-5-2-6-18-41)42-29-27-38(28-30-42)57-49-24-11-8-21-45(49)54-51(57)32-33-53-55(54)46-22-9-12-25-52(46)59-53/h1-35H.

What are the key properties of 9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile?

9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 781.99 g/mol, XLogP of 11.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 140842581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).