6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene

C34H30N6 — CID 59156356

IUPAC6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene
SMILESCC1(C)c2cccc(n2)-c2cc(nn2-c2ccccc2)C(C)(C)c2cccc(n2)-c2cc1nn2-c1ccccc1
InChIInChI=1S/C34H30N6/c1-33(2)29-19-11-17-25(35-29)28-22-32(38-40(28)24-15-9-6-10-16-24)34(3,4)30-20-12-18-26(36-30)27-21-31(33)37-39(27)23-13-7-5-8-14-23/h5-22H,1-4H3
InChIKeyMYNKQRTVOQCFBY-UHFFFAOYSA-N
MW522.66 g/mol
LogP7.15
Rot. Bonds2

About 6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene

6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene (PubChem CID 59156356) has the molecular formula C34H30N6 and a molecular weight of 522.66 g/mol. Its IUPAC name is 6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene.

Molecular Properties

Compound Name6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene
PubChem CID59156356
Molecular FormulaC34H30N6
Molecular Weight522.66 g/mol
Exact Mass522.25
IUPAC Name6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene
SMILESCC1(C)c2cccc(n2)-c2cc(nn2-c2ccccc2)C(C)(C)c2cccc(n2)-c2cc1nn2-c1ccccc1
InChIInChI=1S/C34H30N6/c1-33(2)29-19-11-17-25(35-29)28-22-32(38-40(28)24-15-9-6-10-16-24)34(3,4)30-20-12-18-26(36-30)27-21-31(33)37-39(27)23-13-7-5-8-14-23/h5-22H,1-4H3
InChIKeyMYNKQRTVOQCFBY-UHFFFAOYSA-N
XLogP7.15
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.66
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene with MolForge

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Related Compounds

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CID 59646033
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Frequently Asked Questions

What is the IUPAC name of 6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene?
The IUPAC name of 6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene (CID 59156356) is 6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene.
What is the SMILES notation for 6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene?
The canonical SMILES for 6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene is CC1(C)c2cccc(n2)-c2cc(nn2-c2ccccc2)C(C)(C)c2cccc(n2)-c2cc1nn2-c1ccccc1.
What is the InChIKey of 6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene?
The InChIKey is MYNKQRTVOQCFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N6/c1-33(2)29-19-11-17-25(35-29)28-22-32(38-40(28)24-15-9-6-10-16-24)34(3,4)30-20-12-18-26(36-30)27-21-31(33)37-39(27)23-13-7-5-8-14-23/h5-22H,1-4H3.
What are the key properties of 6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene?
6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene has a molecular weight of 522.66 g/mol, XLogP of 7.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,16,16-tetramethyl-3,13-diphenyl-3,4,13,14,21,23-hexazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene is sourced from PubChem (CID 59156356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).