8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C54H44N6 — CID 134432441

IUPAC8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC(C)(C)C1(C2(C(C)(C)C)c3cccnc3-c3ncc(-n4c5ccccc5c5ccccc54)cc32)c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C54H44N6/c1-51(2,3)53(39-21-15-27-55-47(39)49-41(53)29-33(31-57-49)59-43-23-11-7-17-35(43)36-18-8-12-24-44(36)59)54(52(4,5)6)40-22-16-28-56-48(40)50-42(54)30-34(32-58-50)60-45-25-13-9-19-37(45)38-20-10-14-26-46(38)60/h7-32H,1-6H3
InChIKeyAVKGYQDDZBOOFF-UHFFFAOYSA-N
MW776.99 g/mol
LogP12.79
Rot. Bonds3

About 8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 134432441) has the molecular formula C54H44N6 and a molecular weight of 776.99 g/mol. Its IUPAC name is 8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID134432441
Molecular FormulaC54H44N6
Molecular Weight776.99 g/mol
Exact Mass776.36
IUPAC Name8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC(C)(C)C1(C2(C(C)(C)C)c3cccnc3-c3ncc(-n4c5ccccc5c5ccccc54)cc32)c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C54H44N6/c1-51(2,3)53(39-21-15-27-55-47(39)49-41(53)29-33(31-57-49)59-43-23-11-7-17-35(43)36-18-8-12-24-44(36)59)54(52(4,5)6)40-22-16-28-56-48(40)50-42(54)30-34(32-58-50)60-45-25-13-9-19-37(45)38-20-10-14-26-46(38)60/h7-32H,1-6H3
InChIKeyAVKGYQDDZBOOFF-UHFFFAOYSA-N
XLogP12.79
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.99
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 134432441) is 8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CC(C)(C)C1(C2(C(C)(C)C)c3cccnc3-c3ncc(-n4c5ccccc5c5ccccc54)cc32)c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is AVKGYQDDZBOOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N6/c1-51(2,3)53(39-21-15-27-55-47(39)49-41(53)29-33(31-57-49)59-43-23-11-7-17-35(43)36-18-8-12-24-44(36)59)54(52(4,5)6)40-22-16-28-56-48(40)50-42(54)30-34(32-58-50)60-45-25-13-9-19-37(45)38-20-10-14-26-46(38)60/h7-32H,1-6H3.
What are the key properties of 8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 776.99 g/mol, XLogP of 12.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-8-(8-tert-butyl-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5-carbazol-9-yl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 134432441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).