19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene

C52H29N3O — CID 121368482

IUPAC19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
SMILESc1ccc2c(c1)oc1c(-n3c4ccc(-c5ccc6c7ccccc7c7cccnc7c6n5)cc4c4cc5c6ccccc6c6ccccc6c5cc43)cccc12
InChIInChI=1S/C52H29N3O/c1-5-15-35-31(11-1)32-12-2-6-16-36(32)42-29-48-44(28-41(35)42)43-27-30(22-25-46(43)55(48)47-20-9-18-40-37-17-7-8-21-49(37)56-52(40)47)45-24-23-39-34-14-4-3-13-33(34)38-19-10-26-53-50(38)51(39)54-45/h1-29H
InChIKeyCOCDIFQHSZWFME-UHFFFAOYSA-N
MW711.82 g/mol
LogP14.06
Rot. Bonds2

About 19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene

19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene (PubChem CID 121368482) has the molecular formula C52H29N3O and a molecular weight of 711.82 g/mol. Its IUPAC name is 19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene.

Molecular Properties

Compound Name19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
PubChem CID121368482
Molecular FormulaC52H29N3O
Molecular Weight711.82 g/mol
Exact Mass711.23
IUPAC Name19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
SMILESc1ccc2c(c1)oc1c(-n3c4ccc(-c5ccc6c7ccccc7c7cccnc7c6n5)cc4c4cc5c6ccccc6c6ccccc6c5cc43)cccc12
InChIInChI=1S/C52H29N3O/c1-5-15-35-31(11-1)32-12-2-6-16-36(32)42-29-48-44(28-41(35)42)43-27-30(22-25-46(43)55(48)47-20-9-18-40-37-17-7-8-21-49(37)56-52(40)47)45-24-23-39-34-14-4-3-13-33(34)38-19-10-26-53-50(38)51(39)54-45/h1-29H
InChIKeyCOCDIFQHSZWFME-UHFFFAOYSA-N
XLogP14.06
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.82
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene with MolForge

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Related Compounds

11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
CID 90049940
10-dibenzofuran-4-yl-21-oxa-10,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-20-one
CID 118248450
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905618
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole
CID 118530374
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole
CID 146395667
8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265578
2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine
CID 89369609

Frequently Asked Questions

What is the IUPAC name of 19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene?
The IUPAC name of 19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene (CID 121368482) is 19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene.
What is the SMILES notation for 19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene?
The canonical SMILES for 19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene is c1ccc2c(c1)oc1c(-n3c4ccc(-c5ccc6c7ccccc7c7cccnc7c6n5)cc4c4cc5c6ccccc6c6ccccc6c5cc43)cccc12.
What is the InChIKey of 19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene?
The InChIKey is COCDIFQHSZWFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N3O/c1-5-15-35-31(11-1)32-12-2-6-16-36(32)42-29-48-44(28-41(35)42)43-27-30(22-25-46(43)55(48)47-20-9-18-40-37-17-7-8-21-49(37)56-52(40)47)45-24-23-39-34-14-4-3-13-33(34)38-19-10-26-53-50(38)51(39)54-45/h1-29H.
What are the key properties of 19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene?
19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene has a molecular weight of 711.82 g/mol, XLogP of 14.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19-benzo[f][1,10]phenanthrolin-11-yl-23-dibenzofuran-4-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene is sourced from PubChem (CID 121368482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).