6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene

C26H30N2 — CID 68746303

IUPAC6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene
SMILESC1=c2ccc3c4c(ccc(c24)=CN1C1CCCCC1)=CN(C1CCCCC1)C=3
InChIInChI=1S/C26H30N2/c1-3-7-23(8-4-1)27-15-19-11-13-21-17-28(24-9-5-2-6-10-24)18-22-14-12-20(16-27)25(19)26(21)22/h11-18,23-24H,1-10H2
InChIKeyKAMWHLGZLHCRKZ-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.09
Rot. Bonds2

About 6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene

6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene (PubChem CID 68746303) has the molecular formula C26H30N2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene.

Molecular Properties

Compound Name6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene
PubChem CID68746303
Molecular FormulaC26H30N2
Molecular Weight370.54 g/mol
Exact Mass370.24
IUPAC Name6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene
SMILESC1=c2ccc3c4c(ccc(c24)=CN1C1CCCCC1)=CN(C1CCCCC1)C=3
InChIInChI=1S/C26H30N2/c1-3-7-23(8-4-1)27-15-19-11-13-21-17-28(24-9-5-2-6-10-24)18-22-14-12-20(16-27)25(19)26(21)22/h11-18,23-24H,1-10H2
InChIKeyKAMWHLGZLHCRKZ-UHFFFAOYSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene?
The IUPAC name of 6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene (CID 68746303) is 6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene.
What is the SMILES notation for 6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene?
The canonical SMILES for 6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene is C1=c2ccc3c4c(ccc(c24)=CN1C1CCCCC1)=CN(C1CCCCC1)C=3.
What is the InChIKey of 6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene?
The InChIKey is KAMWHLGZLHCRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2/c1-3-7-23(8-4-1)27-15-19-11-13-21-17-28(24-9-5-2-6-10-24)18-22-14-12-20(16-27)25(19)26(21)22/h11-18,23-24H,1-10H2.
What are the key properties of 6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene?
6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene has a molecular weight of 370.54 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene is sourced from PubChem (CID 68746303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).