(4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene

C30H26N2 — CID 11429909

IUPAC(4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene
SMILESCc1cccc2c1-c1c(C)cccc1C1=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N1C2
InChIInChI=1S/C30H26N2/c1-20-11-9-17-24-19-32-29(23-15-7-4-8-16-23)28(22-13-5-3-6-14-22)31-30(32)25-18-10-12-21(2)27(25)26(20)24/h3-18,28-29H,19H2,1-2H3/t28-,29-/m1/s1
InChIKeyJAMZEAVTBNIRBN-FQLXRVMXSA-N
MW414.55 g/mol
LogP7.03
Rot. Bonds2

About (4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene

(4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene (PubChem CID 11429909) has the molecular formula C30H26N2 and a molecular weight of 414.55 g/mol. Its IUPAC name is (4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene.

Molecular Properties

Compound Name(4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene
PubChem CID11429909
Molecular FormulaC30H26N2
Molecular Weight414.55 g/mol
Exact Mass414.21
IUPAC Name(4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene
SMILESCc1cccc2c1-c1c(C)cccc1C1=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N1C2
InChIInChI=1S/C30H26N2/c1-20-11-9-17-24-19-32-29(23-15-7-4-8-16-23)28(22-13-5-3-6-14-22)31-30(32)25-18-10-12-21(2)27(25)26(20)24/h3-18,28-29H,19H2,1-2H3/t28-,29-/m1/s1
InChIKeyJAMZEAVTBNIRBN-FQLXRVMXSA-N
XLogP7.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene?
The IUPAC name of (4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene (CID 11429909) is (4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene.
What is the SMILES notation for (4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene?
The canonical SMILES for (4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene is Cc1cccc2c1-c1c(C)cccc1C1=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N1C2.
What is the InChIKey of (4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene?
The InChIKey is JAMZEAVTBNIRBN-FQLXRVMXSA-N. The full InChI is InChI=1S/C30H26N2/c1-20-11-9-17-24-19-32-29(23-15-7-4-8-16-23)28(22-13-5-3-6-14-22)31-30(32)25-18-10-12-21(2)27(25)26(20)24/h3-18,28-29H,19H2,1-2H3/t28-,29-/m1/s1.
What are the key properties of (4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene?
(4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene has a molecular weight of 414.55 g/mol, XLogP of 7.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-12,15-dimethyl-4,5-diphenyl-3,6-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2,8,10,12,14,16-heptaene is sourced from PubChem (CID 11429909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).