6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C49H42N6O — CID 145345133

IUPAC6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cncc4c3oc3c(-n5c6ccc(C7CCCCC7)cc6c6cc(C7CCCCC7)ccc65)cncc34)n2)cc1
InChIInChI=1S/C49H42N6O/c1-5-13-31(14-6-1)35-21-23-42-37(25-35)38-26-36(32-15-7-2-8-16-32)22-24-43(38)55(42)44-30-51-28-40-39-27-50-29-41(45(39)56-46(40)44)49-53-47(33-17-9-3-10-18-33)52-48(54-49)34-19-11-4-12-20-34/h3-4,9-12,17-32H,1-2,5-8,13-16H2
InChIKeyLVGBQLARKPPMIA-UHFFFAOYSA-N
MW730.92 g/mol
LogP12.75
Rot. Bonds6

About 6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 145345133) has the molecular formula C49H42N6O and a molecular weight of 730.92 g/mol. Its IUPAC name is 6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID145345133
Molecular FormulaC49H42N6O
Molecular Weight730.92 g/mol
Exact Mass730.34
IUPAC Name6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cncc4c3oc3c(-n5c6ccc(C7CCCCC7)cc6c6cc(C7CCCCC7)ccc65)cncc34)n2)cc1
InChIInChI=1S/C49H42N6O/c1-5-13-31(14-6-1)35-21-23-42-37(25-35)38-26-36(32-15-7-2-8-16-32)22-24-43(38)55(42)44-30-51-28-40-39-27-50-29-41(45(39)56-46(40)44)49-53-47(33-17-9-3-10-18-33)52-48(54-49)34-19-11-4-12-20-34/h3-4,9-12,17-32H,1-2,5-8,13-16H2
InChIKeyLVGBQLARKPPMIA-UHFFFAOYSA-N
XLogP12.75
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.92
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-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

6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 145345116
9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 118507900
3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline
CID 129040238
3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole)
CID 159010237
2-[9-(4-cyclohexylphenyl)carbazol-3-yl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 140916221
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707562
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole
CID 134236150
2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 168843560
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 137414597
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-cyclohexylcarbazole
CID 170659193
9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146512114
4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211165

Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 145345133) is 6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cncc4c3oc3c(-n5c6ccc(C7CCCCC7)cc6c6cc(C7CCCCC7)ccc65)cncc34)n2)cc1.
What is the InChIKey of 6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is LVGBQLARKPPMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42N6O/c1-5-13-31(14-6-1)35-21-23-42-37(25-35)38-26-36(32-15-7-2-8-16-32)22-24-43(38)55(42)44-30-51-28-40-39-27-50-29-41(45(39)56-46(40)44)49-53-47(33-17-9-3-10-18-33)52-48(54-49)34-19-11-4-12-20-34/h3-4,9-12,17-32H,1-2,5-8,13-16H2.
What are the key properties of 6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 730.92 g/mol, XLogP of 12.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dicyclohexylcarbazol-9-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 145345133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).