(2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine

C43H37N — CID 90071194

IUPAC(2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine
SMILESC=C/C=C\C=N\CCCc1ccc2c(c1)C(C)(C)c1cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc1-2
InChIInChI=1S/C43H37N/c1-4-5-14-25-44-26-15-16-30-23-24-33-36-28-37-38(29-40(36)43(2,3)39(33)27-30)42(32-19-10-7-11-20-32)35-22-13-12-21-34(35)41(37)31-17-8-6-9-18-31/h4-14,17-25,27-29H,1,15-16,26H2,2-3H3/b14-5-,44-25+
InChIKeyDBPIDPHZPVVFHG-DSJCIKFXSA-N
MW567.78 g/mol
LogP11.38
Rot. Bonds8

About (2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine

(2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine (PubChem CID 90071194) has the molecular formula C43H37N and a molecular weight of 567.78 g/mol. Its IUPAC name is (2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine
PubChem CID90071194
Molecular FormulaC43H37N
Molecular Weight567.78 g/mol
Exact Mass567.29
IUPAC Name(2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine
SMILESC=C/C=C\C=N\CCCc1ccc2c(c1)C(C)(C)c1cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc1-2
InChIInChI=1S/C43H37N/c1-4-5-14-25-44-26-15-16-30-23-24-33-36-28-37-38(29-40(36)43(2,3)39(33)27-30)42(32-19-10-7-11-20-32)35-22-13-12-21-34(35)41(37)31-17-8-6-9-18-31/h4-14,17-25,27-29H,1,15-16,26H2,2-3H3/b14-5-,44-25+
InChIKeyDBPIDPHZPVVFHG-DSJCIKFXSA-N
XLogP11.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.78
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine (CID 90071194) is (2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine is C=C/C=C\C=N\CCCc1ccc2c(c1)C(C)(C)c1cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc1-2.
What is the InChIKey of (2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine?
The InChIKey is DBPIDPHZPVVFHG-DSJCIKFXSA-N. The full InChI is InChI=1S/C43H37N/c1-4-5-14-25-44-26-15-16-30-23-24-33-36-28-37-38(29-40(36)43(2,3)39(33)27-30)42(32-19-10-7-11-20-32)35-22-13-12-21-34(35)41(37)31-17-8-6-9-18-31/h4-14,17-25,27-29H,1,15-16,26H2,2-3H3/b14-5-,44-25+.
What are the key properties of (2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine?
(2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine has a molecular weight of 567.78 g/mol, XLogP of 11.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[3-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)propyl]penta-2,4-dien-1-imine is sourced from PubChem (CID 90071194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).