N-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline

C42H33N — CID 121323869

IUPACN-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline
SMILESC(=C(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccc(C=C2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C42H33N/c1-4-14-33(15-5-1)42(34-16-6-2-7-17-34)31-43(37-20-8-3-9-21-37)38-28-24-32(25-29-38)30-41-39-22-12-10-18-35(39)26-27-36-19-11-13-23-40(36)41/h1-25,28-31H,26-27H2
InChIKeyGQTCWUOKDDORAS-UHFFFAOYSA-N
MW551.73 g/mol
LogP10.60
Rot. Bonds6

About N-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline

N-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline (PubChem CID 121323869) has the molecular formula C42H33N and a molecular weight of 551.73 g/mol. Its IUPAC name is N-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline.

Molecular Properties

Compound NameN-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline
PubChem CID121323869
Molecular FormulaC42H33N
Molecular Weight551.73 g/mol
Exact Mass551.26
IUPAC NameN-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline
SMILESC(=C(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccc(C=C2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C42H33N/c1-4-14-33(15-5-1)42(34-16-6-2-7-17-34)31-43(37-20-8-3-9-21-37)38-28-24-32(25-29-38)30-41-39-22-12-10-18-35(39)26-27-36-19-11-13-23-40(36)41/h1-25,28-31H,26-27H2
InChIKeyGQTCWUOKDDORAS-UHFFFAOYSA-N
XLogP10.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.73
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline?
The IUPAC name of N-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline (CID 121323869) is N-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline.
What is the SMILES notation for N-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline?
The canonical SMILES for N-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline is C(=C(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccc(C=C2c3ccccc3CCc3ccccc32)cc1.
What is the InChIKey of N-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline?
The InChIKey is GQTCWUOKDDORAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N/c1-4-14-33(15-5-1)42(34-16-6-2-7-17-34)31-43(37-20-8-3-9-21-37)38-28-24-32(25-29-38)30-41-39-22-12-10-18-35(39)26-27-36-19-11-13-23-40(36)41/h1-25,28-31H,26-27H2.
What are the key properties of N-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline?
N-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline has a molecular weight of 551.73 g/mol, XLogP of 10.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethenyl)-N-phenyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline is sourced from PubChem (CID 121323869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).