N'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide

C52H35N3O12 — CID 156643180

IUPACN'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide
SMILESN/C(=N\C(=C/Cc1cccc2oc3ccc(-c4cccc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c45)cc3c12)c1c(O)c(O)c(O)c(O)c1O)c1c(O)c(O)c(O)c(O)c1O
InChIInChI=1S/C52H35N3O12/c53-52(41-44(58)48(62)51(65)49(63)45(41)59)54-31(40-42(56)46(60)50(64)47(61)43(40)57)19-15-23-7-5-13-35-38(23)30-21-24(16-20-34(30)66-35)26-10-6-14-36-39(26)29-18-17-25(22-37(29)67-36)55-32-11-3-1-8-27(32)28-9-2-4-12-33(28)55/h1-14,16-22,56-65H,15H2,(H2,53,54)/b31-19-
InChIKeyHCWICLHDQKFEOZ-DXJNIWACSA-N
MW893.86 g/mol
LogP10.29
Rot. Bonds7

About N'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide

N'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide (PubChem CID 156643180) has the molecular formula C52H35N3O12 and a molecular weight of 893.86 g/mol. Its IUPAC name is N'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide
PubChem CID156643180
Molecular FormulaC52H35N3O12
Molecular Weight893.86 g/mol
Exact Mass893.22
IUPAC NameN'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide
SMILESN/C(=N\C(=C/Cc1cccc2oc3ccc(-c4cccc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c45)cc3c12)c1c(O)c(O)c(O)c(O)c1O)c1c(O)c(O)c(O)c(O)c1O
InChIInChI=1S/C52H35N3O12/c53-52(41-44(58)48(62)51(65)49(63)45(41)59)54-31(40-42(56)46(60)50(64)47(61)43(40)57)19-15-23-7-5-13-35-38(23)30-21-24(16-20-34(30)66-35)26-10-6-14-36-39(26)29-18-17-25(22-37(29)67-36)55-32-11-3-1-8-27(32)28-9-2-4-12-33(28)55/h1-14,16-22,56-65H,15H2,(H2,53,54)/b31-19-
InChIKeyHCWICLHDQKFEOZ-DXJNIWACSA-N
XLogP10.29
TPSA271.89 Ų
H-Bond Donors11
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500893.86
LogP ≤ 510.29
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide with MolForge

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Related Compounds

9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
CID 166962097
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
10-(8-carbazol-9-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134516179
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 147321695
9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole
CID 163638937
9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170276632
9-[3-[4-(8-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780137
3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 163841517
9-(6-dibenzofuran-1-yldibenzofuran-3-yl)carbazole
CID 170688633
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
9-(17-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl)carbazole
CID 59147574
2-dibenzofuran-1-yl-9-dibenzofuran-2-yl-7-phenylcarbazole
CID 130232982

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide?
The IUPAC name of N'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide (CID 156643180) is N'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide is N/C(=N\C(=C/Cc1cccc2oc3ccc(-c4cccc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c45)cc3c12)c1c(O)c(O)c(O)c(O)c1O)c1c(O)c(O)c(O)c(O)c1O.
What is the InChIKey of N'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide?
The InChIKey is HCWICLHDQKFEOZ-DXJNIWACSA-N. The full InChI is InChI=1S/C52H35N3O12/c53-52(41-44(58)48(62)51(65)49(63)45(41)59)54-31(40-42(56)46(60)50(64)47(61)43(40)57)19-15-23-7-5-13-35-38(23)30-21-24(16-20-34(30)66-35)26-10-6-14-36-39(26)29-18-17-25(22-37(29)67-36)55-32-11-3-1-8-27(32)28-9-2-4-12-33(28)55/h1-14,16-22,56-65H,15H2,(H2,53,54)/b31-19-.
What are the key properties of N'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide?
N'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide has a molecular weight of 893.86 g/mol, XLogP of 10.29, 7 rotatable bonds, 11 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-[8-(7-carbazol-9-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1-(2,3,4,5,6-pentahydroxyphenyl)prop-1-enyl]-2,3,4,5,6-pentahydroxybenzenecarboximidamide is sourced from PubChem (CID 156643180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).