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

C185H114N16OSSe — CID 157167270

IUPAC6,10-bis(9-phenylcarbazol-3-yl)-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-selena-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cncc5c4Cc4c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cncc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4[se]c4c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cncc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4oc4c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cncc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4sc4c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cncc45)ccc32)cc1
InChIInChI=1S/C47H30N4.C46H28N4O.C46H28N4S.C46H28N4Se/c1-3-11-32(12-4-1)50-44-17-9-7-15-34(44)38-23-30(19-21-46(38)50)40-26-48-28-42-36(40)25-37-41(27-49-29-43(37)42)31-20-22-47-39(24-31)35-16-8-10-18-45(35)51(47)33-13-5-2-6-14-33;3*1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)35-23-29(19-21-43(35)49)37-25-47-27-39-40-28-48-26-38(46(40)51-45(37)39)30-20-22-44-36(24-30)34-16-8-10-18-42(34)50(44)32-13-5-2-6-14-32/h1-24,26-29H,25H2;3*1-28H
InChIKeyANBHEICIEVMIAD-UHFFFAOYSA-N
MW2688.08 g/mol
LogP47.22
Rot. Bonds16

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

6,10-bis(9-phenylcarbazol-3-yl)-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-selena-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 157167270) has the molecular formula C185H114N16OSSe and a molecular weight of 2688.08 g/mol. Its IUPAC name is 6,10-bis(9-phenylcarbazol-3-yl)-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-selena-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name6,10-bis(9-phenylcarbazol-3-yl)-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-selena-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID157167270
Molecular FormulaC185H114N16OSSe
Molecular Weight2688.08 g/mol
Exact Mass2686.82
IUPAC Name6,10-bis(9-phenylcarbazol-3-yl)-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-selena-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cncc5c4Cc4c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cncc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4[se]c4c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cncc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4oc4c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cncc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4sc4c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cncc45)ccc32)cc1
InChIInChI=1S/C47H30N4.C46H28N4O.C46H28N4S.C46H28N4Se/c1-3-11-32(12-4-1)50-44-17-9-7-15-34(44)38-23-30(19-21-46(38)50)40-26-48-28-42-36(40)25-37-41(27-49-29-43(37)42)31-20-22-47-39(24-31)35-16-8-10-18-45(35)51(47)33-13-5-2-6-14-33;3*1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)35-23-29(19-21-43(35)49)37-25-47-27-39-40-28-48-26-38(46(40)51-45(37)39)30-20-22-44-36(24-30)34-16-8-10-18-42(34)50(44)32-13-5-2-6-14-32/h1-24,26-29H,25H2;3*1-28H
InChIKeyANBHEICIEVMIAD-UHFFFAOYSA-N
XLogP47.22
TPSA155.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002688.08
LogP ≤ 547.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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

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Related Compounds

5-(1H-inden-2-yl)-2-[6-(3-phenylphenyl)-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-(4-phenyl-2-pyridinyl)-9-(trifluoromethyl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-pyridin-2-yl-10-pyrrol-1-yl-[1]benzofuro[3,2-c]carbazole
CID 157966969
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
8-[3-[6-[6-[6-[3-(4,8,12-Triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-4-yl]dibenzothiophen-4-yl]dibenzofuran-4-yl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58059133
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
8-[3-[9-([1]Benzothiolo[3,2-c]pyridin-8-yl)carbazol-3-yl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 89850187
8-[3-[9-([1]Benzothiolo[3,2-c]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine
CID 89850215
8-[3-[3-[9-([1]Benzothiolo[3,2-c]pyridin-8-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine
CID 89850225
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
6,24-Bis([1]benzothiolo[3,2-b]pyridin-8-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 117887470
6,10-Bis(9-phenylcarbazol-3-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 118516971
6-(5-Phenyl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,10,12-tris(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 118700141
5-[3-[4-[3-([1]Benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118941305

Frequently Asked Questions

What is the IUPAC name of 6,10-bis(9-phenylcarbazol-3-yl)-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-selena-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 6,10-bis(9-phenylcarbazol-3-yl)-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-selena-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 157167270) is 6,10-bis(9-phenylcarbazol-3-yl)-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-selena-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 6,10-bis(9-phenylcarbazol-3-yl)-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-selena-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 6,10-bis(9-phenylcarbazol-3-yl)-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-selena-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4Cc4c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cncc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4[se]c4c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cncc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4oc4c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cncc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cncc5c4sc4c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cncc45)ccc32)cc1.
What is the InChIKey of 6,10-bis(9-phenylcarbazol-3-yl)-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-selena-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is ANBHEICIEVMIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4.C46H28N4O.C46H28N4S.C46H28N4Se/c1-3-11-32(12-4-1)50-44-17-9-7-15-34(44)38-23-30(19-21-46(38)50)40-26-48-28-42-36(40)25-37-41(27-49-29-43(37)42)31-20-22-47-39(24-31)35-16-8-10-18-45(35)51(47)33-13-5-2-6-14-33;3*1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)35-23-29(19-21-43(35)49)37-25-47-27-39-40-28-48-26-38(46(40)51-45(37)39)30-20-22-44-36(24-30)34-16-8-10-18-42(34)50(44)32-13-5-2-6-14-32/h1-24,26-29H,25H2;3*1-28H.
What are the key properties of 6,10-bis(9-phenylcarbazol-3-yl)-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-selena-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
6,10-bis(9-phenylcarbazol-3-yl)-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-selena-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 2688.08 g/mol, XLogP of 47.22, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-bis(9-phenylcarbazol-3-yl)-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-selena-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;6,10-bis(9-phenylcarbazol-3-yl)-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 157167270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).