(2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine

C48H33N — CID 118228168

IUPAC(2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine
SMILESC=C1/C=C\C=C/N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c21
InChIInChI=1S/C48H33N/c1-33-15-12-13-28-49(39-30-37(34-16-4-2-5-17-34)29-38(31-39)35-18-6-3-7-19-35)47-25-14-24-40(48(33)47)36-26-27-45-43-22-9-8-20-41(43)42-21-10-11-23-44(42)46(45)32-36/h2-32H,1H2/b15-12-,28-13-
InChIKeyYXVQDXWKUCHWDN-IXEBWKNRSA-N
MW623.80 g/mol
LogP13.38
Rot. Bonds4

About (2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine

(2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine (PubChem CID 118228168) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is (2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine.

Molecular Properties

Compound Name(2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine
PubChem CID118228168
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC Name(2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine
SMILESC=C1/C=C\C=C/N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c21
InChIInChI=1S/C48H33N/c1-33-15-12-13-28-49(39-30-37(34-16-4-2-5-17-34)29-38(31-39)35-18-6-3-7-19-35)47-25-14-24-40(48(33)47)36-26-27-45-43-22-9-8-20-41(43)42-21-10-11-23-44(42)46(45)32-36/h2-32H,1H2/b15-12-,28-13-
InChIKeyYXVQDXWKUCHWDN-IXEBWKNRSA-N
XLogP13.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene
CID 144650904
ethane;6-[2-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 176936679
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole
CID 167043312
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
(2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran
CID 144827351
(3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine
CID 89493771
2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501319
14-phenyl-4-(6-triphenylen-2-ylnaphthalen-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene;14-phenyl-4-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene;14-phenyl-4-(4-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene;14-phenyl-4-[3-(4-triphenylen-2-ylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
CID 161349257
9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole
CID 144578956
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine?
The IUPAC name of (2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine (CID 118228168) is (2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine.
What is the SMILES notation for (2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine?
The canonical SMILES for (2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine is C=C1/C=C\C=C/N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c21.
What is the InChIKey of (2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine?
The InChIKey is YXVQDXWKUCHWDN-IXEBWKNRSA-N. The full InChI is InChI=1S/C48H33N/c1-33-15-12-13-28-49(39-30-37(34-16-4-2-5-17-34)29-38(31-39)35-18-6-3-7-19-35)47-25-14-24-40(48(33)47)36-26-27-45-43-22-9-8-20-41(43)42-21-10-11-23-44(42)46(45)32-36/h2-32H,1H2/b15-12-,28-13-.
What are the key properties of (2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine?
(2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine has a molecular weight of 623.80 g/mol, XLogP of 13.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine is sourced from PubChem (CID 118228168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).