(7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene

C27H32N2 — CID 71192690

IUPAC(7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene
SMILESCC1=CC(C2(C3C=CC=C(C)C3)C3=C(NCC(C)=C3)C3=NC=C(C)C[C@@H]32)=CCC1
InChIInChI=1S/C27H32N2/c1-17-7-5-9-21(11-17)27(22-10-6-8-18(2)12-22)23-13-19(3)15-28-25(23)26-24(27)14-20(4)16-29-26/h5,7,9-10,12-13,16,21,24,28H,6,8,11,14-15H2,1-4H3/t21?,24-,27?/m0/s1
InChIKeyYJFOMVZQQACIQU-BMMPOPSUSA-N
MW384.57 g/mol
LogP6.34
Rot. Bonds2

About (7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene

(7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene (PubChem CID 71192690) has the molecular formula C27H32N2 and a molecular weight of 384.57 g/mol. Its IUPAC name is (7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene.

Molecular Properties

Compound Name(7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene
PubChem CID71192690
Molecular FormulaC27H32N2
Molecular Weight384.57 g/mol
Exact Mass384.26
IUPAC Name(7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene
SMILESCC1=CC(C2(C3C=CC=C(C)C3)C3=C(NCC(C)=C3)C3=NC=C(C)C[C@@H]32)=CCC1
InChIInChI=1S/C27H32N2/c1-17-7-5-9-21(11-17)27(22-10-6-8-18(2)12-22)23-13-19(3)15-28-25(23)26-24(27)14-20(4)16-29-26/h5,7,9-10,12-13,16,21,24,28H,6,8,11,14-15H2,1-4H3/t21?,24-,27?/m0/s1
InChIKeyYJFOMVZQQACIQU-BMMPOPSUSA-N
XLogP6.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene?
The IUPAC name of (7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene (CID 71192690) is (7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene.
What is the SMILES notation for (7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene?
The canonical SMILES for (7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene is CC1=CC(C2(C3C=CC=C(C)C3)C3=C(NCC(C)=C3)C3=NC=C(C)C[C@@H]32)=CCC1.
What is the InChIKey of (7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene?
The InChIKey is YJFOMVZQQACIQU-BMMPOPSUSA-N. The full InChI is InChI=1S/C27H32N2/c1-17-7-5-9-21(11-17)27(22-10-6-8-18(2)12-22)23-13-19(3)15-28-25(23)26-24(27)14-20(4)16-29-26/h5,7,9-10,12-13,16,21,24,28H,6,8,11,14-15H2,1-4H3/t21?,24-,27?/m0/s1.
What are the key properties of (7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene?
(7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene has a molecular weight of 384.57 g/mol, XLogP of 6.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene is sourced from PubChem (CID 71192690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).