2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine

C30H38N8 — CID 14950912

IUPAC2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(NCC=C)nc(NCCN2CCN(C3c4ccccc4CCc4ccccc43)CC2)n1
InChIInChI=1S/C30H38N8/c1-3-15-31-28-34-29(32-16-4-2)36-30(35-28)33-17-18-37-19-21-38(22-20-37)27-25-11-7-5-9-23(25)13-14-24-10-6-8-12-26(24)27/h3-12,27H,1-2,13-22H2,(H3,31,32,33,34,35,36)
InChIKeyDFEKJGMNFDNJQB-UHFFFAOYSA-N
MW510.69 g/mol
LogP3.99
Rot. Bonds11

About 2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 14950912) has the molecular formula C30H38N8 and a molecular weight of 510.69 g/mol. Its IUPAC name is 2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID14950912
Molecular FormulaC30H38N8
Molecular Weight510.69 g/mol
Exact Mass510.32
IUPAC Name2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(NCC=C)nc(NCCN2CCN(C3c4ccccc4CCc4ccccc43)CC2)n1
InChIInChI=1S/C30H38N8/c1-3-15-31-28-34-29(32-16-4-2)36-30(35-28)33-17-18-37-19-21-38(22-20-37)27-25-11-7-5-9-23(25)13-14-24-10-6-8-12-26(24)27/h3-12,27H,1-2,13-22H2,(H3,31,32,33,34,35,36)
InChIKeyDFEKJGMNFDNJQB-UHFFFAOYSA-N
XLogP3.99
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.69
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine (CID 14950912) is 2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine is C=CCNc1nc(NCC=C)nc(NCCN2CCN(C3c4ccccc4CCc4ccccc43)CC2)n1.
What is the InChIKey of 2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DFEKJGMNFDNJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N8/c1-3-15-31-28-34-29(32-16-4-2)36-30(35-28)33-17-18-37-19-21-38(22-20-37)27-25-11-7-5-9-23(25)13-14-24-10-6-8-12-26(24)27/h3-12,27H,1-2,13-22H2,(H3,31,32,33,34,35,36).
What are the key properties of 2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 510.69 g/mol, XLogP of 3.99, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 14950912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).