(2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine

C44H30O — CID 142424798

IUPAC(2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine
SMILESC=C1/C(c2cccc(-c3ccccc3)c2)=C\C=C/Oc2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c21
InChIInChI=1S/C44H30O/c1-30-35(34-20-12-19-33(29-34)31-15-4-2-5-16-31)26-14-28-45-41-27-13-25-40(42(30)41)44-38-23-10-8-21-36(38)43(32-17-6-3-7-18-32)37-22-9-11-24-39(37)44/h2-29H,1H2/b28-14-,35-26+
InChIKeyJEZRRTILJJACMI-WTTGDHTDSA-N
MW574.72 g/mol
LogP12.00
Rot. Bonds4

About (2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine

(2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine (PubChem CID 142424798) has the molecular formula C44H30O and a molecular weight of 574.72 g/mol. Its IUPAC name is (2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine.

Molecular Properties

Compound Name(2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine
PubChem CID142424798
Molecular FormulaC44H30O
Molecular Weight574.72 g/mol
Exact Mass574.23
IUPAC Name(2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine
SMILESC=C1/C(c2cccc(-c3ccccc3)c2)=C\C=C/Oc2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c21
InChIInChI=1S/C44H30O/c1-30-35(34-20-12-19-33(29-34)31-15-4-2-5-16-31)26-14-28-45-41-27-13-25-40(42(30)41)44-38-23-10-8-21-36(38)43(32-17-6-3-7-18-32)37-22-9-11-24-39(37)44/h2-29H,1H2/b28-14-,35-26+
InChIKeyJEZRRTILJJACMI-WTTGDHTDSA-N
XLogP12.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.72
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706319
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 159958636
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706323
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
11-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 154590860

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine?
The IUPAC name of (2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine (CID 142424798) is (2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine.
What is the SMILES notation for (2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine?
The canonical SMILES for (2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine is C=C1/C(c2cccc(-c3ccccc3)c2)=C\C=C/Oc2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c21.
What is the InChIKey of (2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine?
The InChIKey is JEZRRTILJJACMI-WTTGDHTDSA-N. The full InChI is InChI=1S/C44H30O/c1-30-35(34-20-12-19-33(29-34)31-15-4-2-5-16-31)26-14-28-45-41-27-13-25-40(42(30)41)44-38-23-10-8-21-36(38)43(32-17-6-3-7-18-32)37-22-9-11-24-39(37)44/h2-29H,1H2/b28-14-,35-26+.
What are the key properties of (2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine?
(2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine has a molecular weight of 574.72 g/mol, XLogP of 12.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine is sourced from PubChem (CID 142424798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).