6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C56H47N5O — CID 70998803

IUPAC6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCCCC(C)(c1ccc2c(c1)c1ccccc1n2C(CC)(CC)c1ccc2c(c1)c1ccccc1n2-c1ccnc2c1oc1cccnc12)n1c2ccccc2c2ccccc21
InChIInChI=1S/C56H47N5O/c1-5-31-55(4,60-46-22-13-9-17-38(46)39-18-10-14-23-47(39)60)36-26-29-49-43(34-36)41-20-11-15-24-48(41)61(49)56(6-2,7-3)37-27-28-45-42(35-37)40-19-8-12-21-44(40)59(45)50-30-33-58-53-52-51(62-54(50)53)25-16-32-57-52/h8-30,32-35H,5-7,31H2,1-4H3
InChIKeyFEWVBRVNOWFAJV-UHFFFAOYSA-N
MW806.03 g/mol
LogP14.82
Rot. Bonds9

About 6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 70998803) has the molecular formula C56H47N5O and a molecular weight of 806.03 g/mol. Its IUPAC name is 6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID70998803
Molecular FormulaC56H47N5O
Molecular Weight806.03 g/mol
Exact Mass805.38
IUPAC Name6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCCCC(C)(c1ccc2c(c1)c1ccccc1n2C(CC)(CC)c1ccc2c(c1)c1ccccc1n2-c1ccnc2c1oc1cccnc12)n1c2ccccc2c2ccccc21
InChIInChI=1S/C56H47N5O/c1-5-31-55(4,60-46-22-13-9-17-38(46)39-18-10-14-23-47(39)60)36-26-29-49-43(34-36)41-20-11-15-24-48(41)61(49)56(6-2,7-3)37-27-28-45-42(35-37)40-19-8-12-21-44(40)59(45)50-30-33-58-53-52-51(62-54(50)53)25-16-32-57-52/h8-30,32-35H,5-7,31H2,1-4H3
InChIKeyFEWVBRVNOWFAJV-UHFFFAOYSA-N
XLogP14.82
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.03
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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Related Compounds

4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 143830657
4-[3-[1-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]propyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine
CID 143830621
10-dibenzofuran-4-yl-21-oxa-10,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-20-one
CID 118248450
5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole
CID 67988473
6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692968
8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine
CID 143830673
6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 121449359
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692971
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905618
9-[2-(2,2-dimethylpropyl)phenyl]carbazole
CID 154939343
6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 146522799
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 70998803) is 6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is CCCC(C)(c1ccc2c(c1)c1ccccc1n2C(CC)(CC)c1ccc2c(c1)c1ccccc1n2-c1ccnc2c1oc1cccnc12)n1c2ccccc2c2ccccc21.
What is the InChIKey of 6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is FEWVBRVNOWFAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47N5O/c1-5-31-55(4,60-46-22-13-9-17-38(46)39-18-10-14-23-47(39)60)36-26-29-49-43(34-36)41-20-11-15-24-48(41)61(49)56(6-2,7-3)37-27-28-45-42(35-37)40-19-8-12-21-44(40)59(45)50-30-33-58-53-52-51(62-54(50)53)25-16-32-57-52/h8-30,32-35H,5-7,31H2,1-4H3.
What are the key properties of 6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 806.03 g/mol, XLogP of 14.82, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 70998803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).