N-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine

C40H37N4P — CID 154629282

IUPACN-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(=Nc1cccc2cc3cc4ccc5cc6cc7cc8ccccc8cc7cc6cc5c4cc3cc12)(N(C)C)N(C)C
InChIInChI=1S/C40H37N4P/c1-42(2)45(43(3)4,44(5)6)41-40-13-9-12-28-18-33-19-29-14-15-30-20-34-21-31-16-26-10-7-8-11-27(26)17-32(31)22-35(34)23-37(30)38(29)24-36(33)25-39(28)40/h7-25H,1-6H3
InChIKeyCJCHEEVMZSATNC-UHFFFAOYSA-N
MW604.74 g/mol
LogP11.02
Rot. Bonds4

About N-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine

N-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine (PubChem CID 154629282) has the molecular formula C40H37N4P and a molecular weight of 604.74 g/mol. Its IUPAC name is N-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine
PubChem CID154629282
Molecular FormulaC40H37N4P
Molecular Weight604.74 g/mol
Exact Mass604.28
IUPAC NameN-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(=Nc1cccc2cc3cc4ccc5cc6cc7cc8ccccc8cc7cc6cc5c4cc3cc12)(N(C)C)N(C)C
InChIInChI=1S/C40H37N4P/c1-42(2)45(43(3)4,44(5)6)41-40-13-9-12-28-18-33-19-29-14-15-30-20-34-21-31-16-26-10-7-8-11-27(26)17-32(31)22-35(34)23-37(30)38(29)24-36(33)25-39(28)40/h7-25H,1-6H3
InChIKeyCJCHEEVMZSATNC-UHFFFAOYSA-N
XLogP11.02
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.74
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine (CID 154629282) is N-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine is CN(C)P(=Nc1cccc2cc3cc4ccc5cc6cc7cc8ccccc8cc7cc6cc5c4cc3cc12)(N(C)C)N(C)C.
What is the InChIKey of N-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine?
The InChIKey is CJCHEEVMZSATNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37N4P/c1-42(2)45(43(3)4,44(5)6)41-40-13-9-12-28-18-33-19-29-14-15-30-20-34-21-31-16-26-10-7-8-11-27(26)17-32(31)22-35(34)23-37(30)38(29)24-36(33)25-39(28)40/h7-25H,1-6H3.
What are the key properties of N-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine?
N-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine has a molecular weight of 604.74 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(dimethylamino)-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenylimino)-λ5-phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 154629282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).