[[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel

C51H34N4NiO — CID 162362859

IUPAC[[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel
SMILES[Ni]=C(/N=C(\NCc1cccc2c1oc1ccccc12)c1ccccc1)c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)cc1
InChIInChI=1S/C51H34N4O.Ni/c1-3-14-35(15-4-1)51(53-33-36-16-13-22-42-41-21-9-12-25-49(41)56-50(36)42)52-32-34-26-28-38(29-27-34)55-46-24-11-8-20-40(46)44-30-47-43(31-48(44)55)39-19-7-10-23-45(39)54(47)37-17-5-2-6-18-37;/h1-31,53H,33H2;
InChIKeyRUJJBTXGLIDXJS-UHFFFAOYSA-N
MW777.55 g/mol
LogP12.04
Rot. Bonds7

About [[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel

[[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel (PubChem CID 162362859) has the molecular formula C51H34N4NiO and a molecular weight of 777.55 g/mol. Its IUPAC name is [[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel.

Molecular Properties

Compound Name[[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel
PubChem CID162362859
Molecular FormulaC51H34N4NiO
Molecular Weight777.55 g/mol
Exact Mass776.21
IUPAC Name[[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel
SMILES[Ni]=C(/N=C(\NCc1cccc2c1oc1ccccc12)c1ccccc1)c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)cc1
InChIInChI=1S/C51H34N4O.Ni/c1-3-14-35(15-4-1)51(53-33-36-16-13-22-42-41-21-9-12-25-49(41)56-50(36)42)52-32-34-26-28-38(29-27-34)55-46-24-11-8-20-40(46)44-30-47-43(31-48(44)55)39-19-7-10-23-45(39)54(47)37-17-5-2-6-18-37;/h1-31,53H,33H2;
InChIKeyRUJJBTXGLIDXJS-UHFFFAOYSA-N
XLogP12.04
TPSA47.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.55
LogP ≤ 512.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel 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

11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
5-(3-dibenzofuran-4-ylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 171414718
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
5-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014926
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
5-[3-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014814
28-(4-carbazol-9-ylphenyl)-24-phenyl-14-oxa-24-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,15,17,19,21,23(31),25(30),26,28-pentadecaene
CID 130294395
30-(9-phenylcarbazol-2-yl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361078

Frequently Asked Questions

What is the IUPAC name of [[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel?
The IUPAC name of [[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel (CID 162362859) is [[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel.
What is the SMILES notation for [[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel?
The canonical SMILES for [[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel is [Ni]=C(/N=C(\NCc1cccc2c1oc1ccccc12)c1ccccc1)c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)cc1.
What is the InChIKey of [[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel?
The InChIKey is RUJJBTXGLIDXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O.Ni/c1-3-14-35(15-4-1)51(53-33-36-16-13-22-42-41-21-9-12-25-49(41)56-50(36)42)52-32-34-26-28-38(29-27-34)55-46-24-11-8-20-40(46)44-30-47-43(31-48(44)55)39-19-7-10-23-45(39)54(47)37-17-5-2-6-18-37;/h1-31,53H,33H2;.
What are the key properties of [[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel?
[[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel has a molecular weight of 777.55 g/mol, XLogP of 12.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel is sourced from PubChem (CID 162362859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).