4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene

C32H40N6 — CID 143450175

IUPAC4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene
SMILESCCCN(CCC)c1nc(C)nc(Nc2ccc3[nH]c4ccccc4c3c2)n1.CCCc1ccc(C)cc1
InChIInChI=1S/C22H26N6.C10H14/c1-4-12-28(13-5-2)22-24-15(3)23-21(27-22)25-16-10-11-20-18(14-16)17-8-6-7-9-19(17)26-20;1-3-4-10-7-5-9(2)6-8-10/h6-11,14,26H,4-5,12-13H2,1-3H3,(H,23,24,25,27);5-8H,3-4H2,1-2H3
InChIKeyYQTSUHBIXDDIKT-UHFFFAOYSA-N
MW508.71 g/mol
LogP8.13
Rot. Bonds9

About 4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene

4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene (PubChem CID 143450175) has the molecular formula C32H40N6 and a molecular weight of 508.71 g/mol. Its IUPAC name is 4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene.

Molecular Properties

Compound Name4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene
PubChem CID143450175
Molecular FormulaC32H40N6
Molecular Weight508.71 g/mol
Exact Mass508.33
IUPAC Name4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene
SMILESCCCN(CCC)c1nc(C)nc(Nc2ccc3[nH]c4ccccc4c3c2)n1.CCCc1ccc(C)cc1
InChIInChI=1S/C22H26N6.C10H14/c1-4-12-28(13-5-2)22-24-15(3)23-21(27-22)25-16-10-11-20-18(14-16)17-8-6-7-9-19(17)26-20;1-3-4-10-7-5-9(2)6-8-10/h6-11,14,26H,4-5,12-13H2,1-3H3,(H,23,24,25,27);5-8H,3-4H2,1-2H3
InChIKeyYQTSUHBIXDDIKT-UHFFFAOYSA-N
XLogP8.13
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene?
The IUPAC name of 4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene (CID 143450175) is 4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene.
What is the SMILES notation for 4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene?
The canonical SMILES for 4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene is CCCN(CCC)c1nc(C)nc(Nc2ccc3[nH]c4ccccc4c3c2)n1.CCCc1ccc(C)cc1.
What is the InChIKey of 4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene?
The InChIKey is YQTSUHBIXDDIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6.C10H14/c1-4-12-28(13-5-2)22-24-15(3)23-21(27-22)25-16-10-11-20-18(14-16)17-8-6-7-9-19(17)26-20;1-3-4-10-7-5-9(2)6-8-10/h6-11,14,26H,4-5,12-13H2,1-3H3,(H,23,24,25,27);5-8H,3-4H2,1-2H3.
What are the key properties of 4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene?
4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene has a molecular weight of 508.71 g/mol, XLogP of 8.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(9H-carbazol-3-yl)-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine;1-methyl-4-propylbenzene is sourced from PubChem (CID 143450175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).