N-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline

C41H41N — CID 142935509

IUPACN-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline
SMILESC=C/C=C(\C=C/C)c1c2ccccc2c(C/C=C\C(=C/C)N(C(/C=C\C)=C/C=C\C)c2ccccc2)c2ccccc12
InChIInChI=1S/C41H41N/c1-6-11-23-34(22-9-4)42(35-24-13-12-14-25-35)33(10-5)26-19-31-36-37-27-15-17-29-39(37)41(32(20-7-2)21-8-3)40-30-18-16-28-38(36)40/h6-30H,2,31H2,1,3-5H3/b11-6-,21-8-,22-9-,26-19-,32-20+,33-10+,34-23+
InChIKeyJYEFDPGACRZQJX-QTASUYTESA-N
MW547.79 g/mol
LogP11.68
Rot. Bonds11

About N-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline

N-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline (PubChem CID 142935509) has the molecular formula C41H41N and a molecular weight of 547.79 g/mol. Its IUPAC name is N-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline.

Molecular Properties

Compound NameN-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline
PubChem CID142935509
Molecular FormulaC41H41N
Molecular Weight547.79 g/mol
Exact Mass547.32
IUPAC NameN-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline
SMILESC=C/C=C(\C=C/C)c1c2ccccc2c(C/C=C\C(=C/C)N(C(/C=C\C)=C/C=C\C)c2ccccc2)c2ccccc12
InChIInChI=1S/C41H41N/c1-6-11-23-34(22-9-4)42(35-24-13-12-14-25-35)33(10-5)26-19-31-36-37-27-15-17-29-39(37)41(32(20-7-2)21-8-3)40-30-18-16-28-38(36)40/h6-30H,2,31H2,1,3-5H3/b11-6-,21-8-,22-9-,26-19-,32-20+,33-10+,34-23+
InChIKeyJYEFDPGACRZQJX-QTASUYTESA-N
XLogP11.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.79
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline?
The IUPAC name of N-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline (CID 142935509) is N-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline.
What is the SMILES notation for N-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline?
The canonical SMILES for N-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline is C=C/C=C(\C=C/C)c1c2ccccc2c(C/C=C\C(=C/C)N(C(/C=C\C)=C/C=C\C)c2ccccc2)c2ccccc12.
What is the InChIKey of N-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline?
The InChIKey is JYEFDPGACRZQJX-QTASUYTESA-N. The full InChI is InChI=1S/C41H41N/c1-6-11-23-34(22-9-4)42(35-24-13-12-14-25-35)33(10-5)26-19-31-36-37-27-15-17-29-39(37)41(32(20-7-2)21-8-3)40-30-18-16-28-38(36)40/h6-30H,2,31H2,1,3-5H3/b11-6-,21-8-,22-9-,26-19-,32-20+,33-10+,34-23+.
What are the key properties of N-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline?
N-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline has a molecular weight of 547.79 g/mol, XLogP of 11.68, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline is sourced from PubChem (CID 142935509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).