6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C184H114N16OSSeSi — CID 157194696

IUPAC6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cncc5c4[SiH2]c4cncc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4[se]c4cncc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4oc4cncc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4sc4cncc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)ccc32)cc1
InChIInChI=1S/C46H28N4O.C46H28N4S.C46H28N4Se.C46H30N4Si/c4*1-3-11-31(12-4-1)49-40-17-9-7-15-33(40)35-23-29(19-21-42(35)49)37-25-48-28-44-45(37)39-27-47-26-38(46(39)51-44)30-20-22-43-36(24-30)34-16-8-10-18-41(34)50(43)32-13-5-2-6-14-32/h3*1-28H;1-28H,51H2
InChIKeyAQCLTAHLRSRVFT-UHFFFAOYSA-N
MW2704.16 g/mol
LogP44.75
Rot. Bonds16

About 6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 157194696) has the molecular formula C184H114N16OSSeSi and a molecular weight of 2704.16 g/mol. Its IUPAC name is 6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID157194696
Molecular FormulaC184H114N16OSSeSi
Molecular Weight2704.16 g/mol
Exact Mass2702.80
IUPAC Name6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cncc5c4[SiH2]c4cncc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4[se]c4cncc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4oc4cncc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4sc4cncc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)ccc32)cc1
InChIInChI=1S/C46H28N4O.C46H28N4S.C46H28N4Se.C46H30N4Si/c4*1-3-11-31(12-4-1)49-40-17-9-7-15-33(40)35-23-29(19-21-42(35)49)37-25-48-28-44-45(37)39-27-47-26-38(46(39)51-44)30-20-22-43-36(24-30)34-16-8-10-18-41(34)50(43)32-13-5-2-6-14-32/h3*1-28H;1-28H,51H2
InChIKeyAQCLTAHLRSRVFT-UHFFFAOYSA-N
XLogP44.75
TPSA155.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002704.16
LogP ≤ 544.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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Related Compounds

4,6,10,12-Tetrakis(5-phenylpyrido[4,3-b]indol-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58059088
6-[4-[3-(8-Carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58099555
6,10-Bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099557
6-[4-[3-(8-Carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 87766443
8-[3-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89849992
8-[3-(6-Dibenzothiophen-4-yl-2-pyridinyl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850020
8-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850168
8-[3-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850214
8-[3-[3-[9-[3-([1]Benzothiolo[3,2-b]pyridin-8-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850228
8-[3-[3-[8-[9-[3-([1]Benzothiolo[3,2-b]pyridin-8-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850231
8-[3-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]oxycarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850235
8-[4-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-4-yl]oxycarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850237

Frequently Asked Questions

What is the IUPAC name of 6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 157194696) is 6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4[SiH2]c4cncc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4[se]c4cncc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4oc4cncc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4sc4cncc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)ccc32)cc1.
What is the InChIKey of 6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is AQCLTAHLRSRVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O.C46H28N4S.C46H28N4Se.C46H30N4Si/c4*1-3-11-31(12-4-1)49-40-17-9-7-15-33(40)35-23-29(19-21-42(35)49)37-25-48-28-44-45(37)39-27-47-26-38(46(39)51-44)30-20-22-43-36(24-30)34-16-8-10-18-41(34)50(43)32-13-5-2-6-14-32/h3*1-28H;1-28H,51H2.
What are the key properties of 6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 2704.16 g/mol, XLogP of 44.75, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-bis(9-phenylcarbazol-3-yl)-4,11-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-selena-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6,13-bis(9-phenylcarbazol-3-yl)-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 157194696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).