(3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine

C55H37NO2 — CID 89493771

IUPAC(3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine
SMILESC=C1/C=C\C=C/CN(c2cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)c2)c2ccccc21
InChIInChI=1S/C55H37NO2/c1-36-13-5-4-12-28-56(51-19-11-10-18-46(36)51)45-30-43(41-22-26-54-49(34-41)47-32-39(20-24-52(47)57-54)37-14-6-2-7-15-37)29-44(31-45)42-23-27-55-50(35-42)48-33-40(21-25-53(48)58-55)38-16-8-3-9-17-38/h2-27,29-35H,1,28H2/b12-4-,13-5-
InChIKeyCFRXRISZNKIIKQ-FQCPIAEUSA-N
MW743.91 g/mol
LogP15.43
Rot. Bonds5

About (3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine

(3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine (PubChem CID 89493771) has the molecular formula C55H37NO2 and a molecular weight of 743.91 g/mol. Its IUPAC name is (3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine.

Molecular Properties

Compound Name(3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine
PubChem CID89493771
Molecular FormulaC55H37NO2
Molecular Weight743.91 g/mol
Exact Mass743.28
IUPAC Name(3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine
SMILESC=C1/C=C\C=C/CN(c2cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)c2)c2ccccc21
InChIInChI=1S/C55H37NO2/c1-36-13-5-4-12-28-56(51-19-11-10-18-46(36)51)45-30-43(41-22-26-54-49(34-41)47-32-39(20-24-52(47)57-54)37-14-6-2-7-15-37)29-44(31-45)42-23-27-55-50(35-42)48-33-40(21-25-53(48)58-55)38-16-8-3-9-17-38/h2-27,29-35H,1,28H2/b12-4-,13-5-
InChIKeyCFRXRISZNKIIKQ-FQCPIAEUSA-N
XLogP15.43
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline
CID 144559824
3-carbazol-9-yl-10-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-15-(3-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137680
9-[3-[4-[3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 122666790
9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166750088
3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 121419598
(16Z,18Z)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-20-methylidene-10-oxa-14-azatetracyclo[11.7.0.03,11.04,9]icosa-1(13),2,4,6,8,11,16,18-octaene
CID 134569553
5,6-bis(ethenyl)-4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]-21-oxa-3-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 145272856
(2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran
CID 144827351
1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylindole
CID 158939023
9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 163423190
11-dibenzofuran-2-yl-8,14-bis(3,5-diphenylphenyl)-5,17-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 164941704
9-[3-methyl-4-[2-methyl-4-[(3Z,5Z)-7-methylidene-9-pyridin-4-yl-2H-1-benzazonin-1-yl]phenyl]phenyl]-3-pyridin-4-ylcarbazole
CID 122518938

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine?
The IUPAC name of (3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine (CID 89493771) is (3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine.
What is the SMILES notation for (3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine?
The canonical SMILES for (3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine is C=C1/C=C\C=C/CN(c2cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)c2)c2ccccc21.
What is the InChIKey of (3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine?
The InChIKey is CFRXRISZNKIIKQ-FQCPIAEUSA-N. The full InChI is InChI=1S/C55H37NO2/c1-36-13-5-4-12-28-56(51-19-11-10-18-46(36)51)45-30-43(41-22-26-54-49(34-41)47-32-39(20-24-52(47)57-54)37-14-6-2-7-15-37)29-44(31-45)42-23-27-55-50(35-42)48-33-40(21-25-53(48)58-55)38-16-8-3-9-17-38/h2-27,29-35H,1,28H2/b12-4-,13-5-.
What are the key properties of (3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine?
(3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine has a molecular weight of 743.91 g/mol, XLogP of 15.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine is sourced from PubChem (CID 89493771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).