18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene

C53H37N5O — CID 144914832

IUPAC18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
SMILESC1=Cc2cc3c(cc2N(C2=NC(c4ccccc4)NC(c4ccccc4)N2)c2ccc(-c4cccc5c4oc4ccccc45)cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C53H37N5O/c1-4-15-34(16-5-1)51-54-52(35-17-6-2-7-18-35)56-53(55-51)58-45-30-29-36(40-23-14-24-43-42-22-11-13-26-49(42)59-50(40)43)31-37(45)27-28-38-32-48-44(33-47(38)58)41-21-10-12-25-46(41)57(48)39-19-8-3-9-20-39/h1-33,51-52,54H,(H,55,56)
InChIKeyXCQWCHSMOMWGBC-UHFFFAOYSA-N
MW759.91 g/mol
LogP12.92
Rot. Bonds4

About 18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene

18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene (PubChem CID 144914832) has the molecular formula C53H37N5O and a molecular weight of 759.91 g/mol. Its IUPAC name is 18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene.

Molecular Properties

Compound Name18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
PubChem CID144914832
Molecular FormulaC53H37N5O
Molecular Weight759.91 g/mol
Exact Mass759.30
IUPAC Name18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
SMILESC1=Cc2cc3c(cc2N(C2=NC(c4ccccc4)NC(c4ccccc4)N2)c2ccc(-c4cccc5c4oc4ccccc45)cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C53H37N5O/c1-4-15-34(16-5-1)51-54-52(35-17-6-2-7-18-35)56-53(55-51)58-45-30-29-36(40-23-14-24-43-42-22-11-13-26-49(42)59-50(40)43)31-37(45)27-28-38-32-48-44(33-47(38)58)41-21-10-12-25-46(41)57(48)39-19-8-3-9-20-39/h1-33,51-52,54H,(H,55,56)
InChIKeyXCQWCHSMOMWGBC-UHFFFAOYSA-N
XLogP12.92
TPSA57.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.91
LogP ≤ 512.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene with MolForge

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Related Compounds

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CID 145077505
9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 145085338
11-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 118398709
9-[6-[8-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 163673549
9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole
CID 145067647
3-[4-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazinan-2-yl]benzonitrile
CID 145085605
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
11-[3-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-2-(9-phenylcarbazol-2-yl)benzo[b][1]benzazepine
CID 137010820
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
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361

Frequently Asked Questions

What is the IUPAC name of 18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene?
The IUPAC name of 18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene (CID 144914832) is 18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene.
What is the SMILES notation for 18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene?
The canonical SMILES for 18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene is C1=Cc2cc3c(cc2N(C2=NC(c4ccccc4)NC(c4ccccc4)N2)c2ccc(-c4cccc5c4oc4ccccc45)cc21)c1ccccc1n3-c1ccccc1.
What is the InChIKey of 18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene?
The InChIKey is XCQWCHSMOMWGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N5O/c1-4-15-34(16-5-1)51-54-52(35-17-6-2-7-18-35)56-53(55-51)58-45-30-29-36(40-23-14-24-43-42-22-11-13-26-49(42)59-50(40)43)31-37(45)27-28-38-32-48-44(33-47(38)58)41-21-10-12-25-46(41)57(48)39-19-8-3-9-20-39/h1-33,51-52,54H,(H,55,56).
What are the key properties of 18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene?
18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene has a molecular weight of 759.91 g/mol, XLogP of 12.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 18-dibenzofuran-4-yl-22-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-phenyl-10,22-diazapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene is sourced from PubChem (CID 144914832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).