3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene

C38H39N5 — CID 101102763

IUPAC3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene
SMILESCC1=C(C)c2nc1c1[nH]c(cc3ccc([nH]3)c(-c3c(C)cc(C)cc3C)c3ccc(cc4[nH]c2c(C)c4C)[nH]3)c(C)c1C
InChIInChI=1S/C38H39N5/c1-18-14-19(2)33(20(3)15-18)34-29-12-10-27(39-29)16-31-21(4)23(6)35(41-31)37-25(8)26(9)38(43-37)36-24(7)22(5)32(42-36)17-28-11-13-30(34)40-28/h10-17,39-42H,1-9H3/b27-16-,28-17-,31-16-,32-17-,34-29-,34-30-,37-35+,38-36+
InChIKeySGCOTMGKDUMQGV-YNNHGQMLSA-N
MW565.77 g/mol
LogP10.35
Rot. Bonds1

About 3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene

3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene (PubChem CID 101102763) has the molecular formula C38H39N5 and a molecular weight of 565.77 g/mol. Its IUPAC name is 3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene
PubChem CID101102763
Molecular FormulaC38H39N5
Molecular Weight565.77 g/mol
Exact Mass565.32
IUPAC Name3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene
SMILESCC1=C(C)c2nc1c1[nH]c(cc3ccc([nH]3)c(-c3c(C)cc(C)cc3C)c3ccc(cc4[nH]c2c(C)c4C)[nH]3)c(C)c1C
InChIInChI=1S/C38H39N5/c1-18-14-19(2)33(20(3)15-18)34-29-12-10-27(39-29)16-31-21(4)23(6)35(41-31)37-25(8)26(9)38(43-37)36-24(7)22(5)32(42-36)17-28-11-13-30(34)40-28/h10-17,39-42H,1-9H3/b27-16-,28-17-,31-16-,32-17-,34-29-,34-30-,37-35+,38-36+
InChIKeySGCOTMGKDUMQGV-YNNHGQMLSA-N
XLogP10.35
TPSA76.05 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.77
LogP ≤ 510.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Analyze 3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,15-bis(2,6-dimethylphenyl)-21,22-dihydroporphyrin
CID 163359228
5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 135490543
10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 11050991
5-bromo-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 135545252
3-[5,15-bis(2,4,6-trimethylphenyl)-22,24-dihydro-21H-corrin-10-yl]phenol
CID 11814204
6,16-bis(2,4,6-trimethylphenyl)-11-thia-20,21,22,23-tetrazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(19),2,4,6,8,10(22),12(21),13,15,17-decaene
CID 102221559
5,10,15-tris(2,4,6-trimethylphenyl)-20-[2-[6-[2-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]ethynyl]pyrimidin-4-yl]ethynyl]-21,23-dihydroporphyrin
CID 122371197
10,15,24,29-tetrakis(2,4,6-trimethylphenyl)-34,37-dithia-33,35,36,38,39-pentazaoctacyclo[28.2.1.12,5.16,9.111,14.116,19.120,23.125,28]nonatriaconta-1(32),2(39),3,5,7,9,11,13,15,17,19,21,23(35),24,26,28,30-heptadecaene
CID 136746596
10,20-dipentyl-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 10699782
2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol
CID 81431206
19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene
CID 137125356
2-[3,5-dimethyl-4-[15-(4-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]ethynyl-trimethylsilane
CID 135829265

Frequently Asked Questions

What is the IUPAC name of 3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene?
The IUPAC name of 3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene (CID 101102763) is 3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene.
What is the SMILES notation for 3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene?
The canonical SMILES for 3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene is CC1=C(C)c2nc1c1[nH]c(cc3ccc([nH]3)c(-c3c(C)cc(C)cc3C)c3ccc(cc4[nH]c2c(C)c4C)[nH]3)c(C)c1C.
What is the InChIKey of 3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene?
The InChIKey is SGCOTMGKDUMQGV-YNNHGQMLSA-N. The full InChI is InChI=1S/C38H39N5/c1-18-14-19(2)33(20(3)15-18)34-29-12-10-27(39-29)16-31-21(4)23(6)35(41-31)37-25(8)26(9)38(43-37)36-24(7)22(5)32(42-36)17-28-11-13-30(34)40-28/h10-17,39-42H,1-9H3/b27-16-,28-17-,31-16-,32-17-,34-29-,34-30-,37-35+,38-36+.
What are the key properties of 3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene?
3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene has a molecular weight of 565.77 g/mol, XLogP of 10.35, 1 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7,8,22,23-hexamethyl-15-(2,4,6-trimethylphenyl)-24,25,26,27,28-pentazahexacyclo[19.2.1.12,5.16,9.111,14.116,19]octacosa-1,3,5(28),6,8,10,12,14,16,18,20,22-dodecaene is sourced from PubChem (CID 101102763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).