7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole

C44H31NOSi — CID 140747134

IUPAC7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole
SMILESC[Si]1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5O6)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C44H31NOSi/c1-47(2)43-19-11-9-17-34(43)38-26-36-35-24-28(20-22-39(35)45(40(36)27-44(38)47)30-12-4-3-5-13-30)29-21-23-42-37(25-29)32-15-7-6-14-31(32)33-16-8-10-18-41(33)46-42/h3-27H,1-2H3
InChIKeyMMYIOEPCUNAVTI-UHFFFAOYSA-N
MW617.82 g/mol
LogP10.69
Rot. Bonds2

About 7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole

7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole (PubChem CID 140747134) has the molecular formula C44H31NOSi and a molecular weight of 617.82 g/mol. Its IUPAC name is 7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole
PubChem CID140747134
Molecular FormulaC44H31NOSi
Molecular Weight617.82 g/mol
Exact Mass617.22
IUPAC Name7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole
SMILESC[Si]1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5O6)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C44H31NOSi/c1-47(2)43-19-11-9-17-34(43)38-26-36-35-24-28(20-22-39(35)45(40(36)27-44(38)47)30-12-4-3-5-13-30)29-21-23-42-37(25-29)32-15-7-6-14-31(32)33-16-8-10-18-41(33)46-42/h3-27H,1-2H3
InChIKeyMMYIOEPCUNAVTI-UHFFFAOYSA-N
XLogP10.69
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.82
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole with MolForge

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Related Compounds

7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole
CID 123876607
2-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole
CID 170039373
3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide
CID 148817621
3-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl]-9-phenylcarbazole
CID 122629660
14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene
CID 134233700
3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole
CID 156626520
3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 140780729
9-phenyl-2-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-4-yl)carbazole
CID 118700613
2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole
CID 90337243
N-[4-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 134271613
9-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-5-phenylbenzo[b]carbazole
CID 170037476
7-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole
CID 170041070

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole?
The IUPAC name of 7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole (CID 140747134) is 7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole?
The canonical SMILES for 7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole is C[Si]1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5O6)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole?
The InChIKey is MMYIOEPCUNAVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31NOSi/c1-47(2)43-19-11-9-17-34(43)38-26-36-35-24-28(20-22-39(35)45(40(36)27-44(38)47)30-12-4-3-5-13-30)29-21-23-42-37(25-29)32-15-7-6-14-31(32)33-16-8-10-18-41(33)46-42/h3-27H,1-2H3.
What are the key properties of 7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole?
7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole has a molecular weight of 617.82 g/mol, XLogP of 10.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole is sourced from PubChem (CID 140747134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).