9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C54H36N2Si — CID 140873018

IUPAC9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)-c6ccccc6[Si]7(c6ccccc6)c6ccccc6)c5ccc43)cc2)cc1
InChIInChI=1S/C54H36N2Si/c1-4-16-37(17-5-1)38-28-30-39(31-29-38)55-47-25-13-10-23-44(47)53-49(55)33-34-50-54(53)45-24-11-14-26-48(45)56(50)40-32-35-52-46(36-40)43-22-12-15-27-51(43)57(52,41-18-6-2-7-19-41)42-20-8-3-9-21-42/h1-36H
InChIKeyXKFWSLPGKVXYGA-UHFFFAOYSA-N
MW740.98 g/mol
LogP10.91
Rot. Bonds5

About 9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 140873018) has the molecular formula C54H36N2Si and a molecular weight of 740.98 g/mol. Its IUPAC name is 9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID140873018
Molecular FormulaC54H36N2Si
Molecular Weight740.98 g/mol
Exact Mass740.26
IUPAC Name9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)-c6ccccc6[Si]7(c6ccccc6)c6ccccc6)c5ccc43)cc2)cc1
InChIInChI=1S/C54H36N2Si/c1-4-16-37(17-5-1)38-28-30-39(31-29-38)55-47-25-13-10-23-44(47)53-49(55)33-34-50-54(53)45-24-11-14-26-48(45)56(50)40-32-35-52-46(36-40)43-22-12-15-27-51(43)57(52,41-18-6-2-7-19-41)42-20-8-3-9-21-42/h1-36H
InChIKeyXKFWSLPGKVXYGA-UHFFFAOYSA-N
XLogP10.91
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.98
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158417427
9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140873053
12-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[3-(5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]indolo[3,2-c]carbazole
CID 160624005
3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole
CID 155784537
2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole
CID 90337243
5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 140873038
11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 140873106
N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine
CID 144766102
9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole
CID 164739104
2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645736
4-phenyl-9-[9-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]carbazol-4-yl]carbazole
CID 171458071
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]phenanthren-9-amine
CID 140728886

Frequently Asked Questions

What is the IUPAC name of 9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 140873018) is 9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)-c6ccccc6[Si]7(c6ccccc6)c6ccccc6)c5ccc43)cc2)cc1.
What is the InChIKey of 9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is XKFWSLPGKVXYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2Si/c1-4-16-37(17-5-1)38-28-30-39(31-29-38)55-47-25-13-10-23-44(47)53-49(55)33-34-50-54(53)45-24-11-14-26-48(45)56(50)40-32-35-52-46(36-40)43-22-12-15-27-51(43)57(52,41-18-6-2-7-19-41)42-20-8-3-9-21-42/h1-36H.
What are the key properties of 9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 740.98 g/mol, XLogP of 10.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 140873018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).