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

C48H32N6 — CID 134432439

IUPAC5-carbazol-9-yl-8-(5-carbazol-9-yl-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC1(C2(C)c3cccnc3-c3ncc(-n4c5ccccc5c5ccccc54)cc32)c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C48H32N6/c1-47(35-17-11-23-49-43(35)45-37(47)25-29(27-51-45)53-39-19-7-3-13-31(39)32-14-4-8-20-40(32)53)48(2)36-18-12-24-50-44(36)46-38(48)26-30(28-52-46)54-41-21-9-5-15-33(41)34-16-6-10-22-42(34)54/h3-28H,1-2H3
InChIKeySFGSTKMRNBWHBC-UHFFFAOYSA-N
MW692.83 g/mol
LogP10.73
Rot. Bonds3

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

5-carbazol-9-yl-8-(5-carbazol-9-yl-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 134432439) has the molecular formula C48H32N6 and a molecular weight of 692.83 g/mol. Its IUPAC name is 5-carbazol-9-yl-8-(5-carbazol-9-yl-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name5-carbazol-9-yl-8-(5-carbazol-9-yl-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID134432439
Molecular FormulaC48H32N6
Molecular Weight692.83 g/mol
Exact Mass692.27
IUPAC Name5-carbazol-9-yl-8-(5-carbazol-9-yl-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC1(C2(C)c3cccnc3-c3ncc(-n4c5ccccc5c5ccccc54)cc32)c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C48H32N6/c1-47(35-17-11-23-49-43(35)45-37(47)25-29(27-51-45)53-39-19-7-3-13-31(39)32-14-4-8-20-40(32)53)48(2)36-18-12-24-50-44(36)46-38(48)26-30(28-52-46)54-41-21-9-5-15-33(41)34-16-6-10-22-42(34)54/h3-28H,1-2H3
InChIKeySFGSTKMRNBWHBC-UHFFFAOYSA-N
XLogP10.73
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.83
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-carbazol-9-yl-8-(5-carbazol-9-yl-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-methyl-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 5-carbazol-9-yl-8-(5-carbazol-9-yl-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 5-carbazol-9-yl-8-(5-carbazol-9-yl-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 134432439) is 5-carbazol-9-yl-8-(5-carbazol-9-yl-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 5-carbazol-9-yl-8-(5-carbazol-9-yl-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 5-carbazol-9-yl-8-(5-carbazol-9-yl-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CC1(C2(C)c3cccnc3-c3ncc(-n4c5ccccc5c5ccccc54)cc32)c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 5-carbazol-9-yl-8-(5-carbazol-9-yl-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is SFGSTKMRNBWHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6/c1-47(35-17-11-23-49-43(35)45-37(47)25-29(27-51-45)53-39-19-7-3-13-31(39)32-14-4-8-20-40(32)53)48(2)36-18-12-24-50-44(36)46-38(48)26-30(28-52-46)54-41-21-9-5-15-33(41)34-16-6-10-22-42(34)54/h3-28H,1-2H3.
What are the key properties of 5-carbazol-9-yl-8-(5-carbazol-9-yl-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
5-carbazol-9-yl-8-(5-carbazol-9-yl-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 692.83 g/mol, XLogP of 10.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-8-(5-carbazol-9-yl-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 134432439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).