4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene

C39H37N — CID 163458422

IUPAC4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
SMILESCc1c(C)c(-c2ccccc2)c2c(c1C)c1c(C)c(C)c(C)c3c4c(C)c(C)c(C)c(-c5ccccc5)c4n2c13
InChIInChI=1S/C39H37N/c1-20-23(4)31(29-16-12-10-13-17-29)37-33(25(20)6)35-27(8)22(3)28(9)36-34-26(7)21(2)24(5)32(30-18-14-11-15-19-30)38(34)40(37)39(35)36/h10-19H,1-9H3
InChIKeyWOKVKWDGNOWCGL-UHFFFAOYSA-N
MW519.73 g/mol
LogP10.95
Rot. Bonds2

About 4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene

4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene (PubChem CID 163458422) has the molecular formula C39H37N and a molecular weight of 519.73 g/mol. Its IUPAC name is 4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene.

Molecular Properties

Compound Name4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
PubChem CID163458422
Molecular FormulaC39H37N
Molecular Weight519.73 g/mol
Exact Mass519.29
IUPAC Name4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
SMILESCc1c(C)c(-c2ccccc2)c2c(c1C)c1c(C)c(C)c(C)c3c4c(C)c(C)c(C)c(-c5ccccc5)c4n2c13
InChIInChI=1S/C39H37N/c1-20-23(4)31(29-16-12-10-13-17-29)37-33(25(20)6)35-27(8)22(3)28(9)36-34-26(7)21(2)24(5)32(30-18-14-11-15-19-30)38(34)40(37)39(35)36/h10-19H,1-9H3
InChIKeyWOKVKWDGNOWCGL-UHFFFAOYSA-N
XLogP10.95
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.73
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
The IUPAC name of 4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene (CID 163458422) is 4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene.
What is the SMILES notation for 4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
The canonical SMILES for 4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene is Cc1c(C)c(-c2ccccc2)c2c(c1C)c1c(C)c(C)c(C)c3c4c(C)c(C)c(C)c(-c5ccccc5)c4n2c13.
What is the InChIKey of 4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
The InChIKey is WOKVKWDGNOWCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37N/c1-20-23(4)31(29-16-12-10-13-17-29)37-33(25(20)6)35-27(8)22(3)28(9)36-34-26(7)21(2)24(5)32(30-18-14-11-15-19-30)38(34)40(37)39(35)36/h10-19H,1-9H3.
What are the key properties of 4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene has a molecular weight of 519.73 g/mol, XLogP of 10.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene is sourced from PubChem (CID 163458422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).