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

C58H48N6 — CID 134432438

IUPAC8-tert-butyl-8-[8-tert-butyl-5-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-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(-n4c(-c5ccccc5)cc5ccccc54)cc32)c2cccnc2-c2ncc(-n3c(-c4ccccc4)cc4ccccc43)cc21
InChIInChI=1S/C58H48N6/c1-55(2,3)57(43-25-17-29-59-51(43)53-45(57)33-41(35-61-53)63-47-27-15-13-23-39(47)31-49(63)37-19-9-7-10-20-37)58(56(4,5)6)44-26-18-30-60-52(44)54-46(58)34-42(36-62-54)64-48-28-16-14-24-40(48)32-50(64)38-21-11-8-12-22-38/h7-36H,1-6H3
InChIKeyWFZDLEBLDVKGJE-UHFFFAOYSA-N
MW829.06 g/mol
LogP13.81
Rot. Bonds5

About 8-tert-butyl-8-[8-tert-butyl-5-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-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-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 134432438) has the molecular formula C58H48N6 and a molecular weight of 829.06 g/mol. Its IUPAC name is 8-tert-butyl-8-[8-tert-butyl-5-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-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-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID134432438
Molecular FormulaC58H48N6
Molecular Weight829.06 g/mol
Exact Mass828.39
IUPAC Name8-tert-butyl-8-[8-tert-butyl-5-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-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(-n4c(-c5ccccc5)cc5ccccc54)cc32)c2cccnc2-c2ncc(-n3c(-c4ccccc4)cc4ccccc43)cc21
InChIInChI=1S/C58H48N6/c1-55(2,3)57(43-25-17-29-59-51(43)53-45(57)33-41(35-61-53)63-47-27-15-13-23-39(47)31-49(63)37-19-9-7-10-20-37)58(56(4,5)6)44-26-18-30-60-52(44)54-46(58)34-42(36-62-54)64-48-28-16-14-24-40(48)32-50(64)38-21-11-8-12-22-38/h7-36H,1-6H3
InChIKeyWFZDLEBLDVKGJE-UHFFFAOYSA-N
XLogP13.81
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.06
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-tert-butyl-8-[8-tert-butyl-5-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-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-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-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-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 134432438) is 8-tert-butyl-8-[8-tert-butyl-5-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-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-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-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-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-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(-n4c(-c5ccccc5)cc5ccccc54)cc32)c2cccnc2-c2ncc(-n3c(-c4ccccc4)cc4ccccc43)cc21.
What is the InChIKey of 8-tert-butyl-8-[8-tert-butyl-5-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is WFZDLEBLDVKGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N6/c1-55(2,3)57(43-25-17-29-59-51(43)53-45(57)33-41(35-61-53)63-47-27-15-13-23-39(47)31-49(63)37-19-9-7-10-20-37)58(56(4,5)6)44-26-18-30-60-52(44)54-46(58)34-42(36-62-54)64-48-28-16-14-24-40(48)32-50(64)38-21-11-8-12-22-38/h7-36H,1-6H3.
What are the key properties of 8-tert-butyl-8-[8-tert-butyl-5-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-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-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 829.06 g/mol, XLogP of 13.81, 5 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-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(2-phenylindol-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 134432438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).