14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene

C48H28ClNO2 — CID 121446907

IUPAC14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
SMILESClc1ccccc1N1c2ccc(-c3cccc4oc5ccccc5c34)cc2-c2ccccc2-c2cc(-c3cccc4oc5ccccc5c34)ccc21
InChIInChI=1S/C48H28ClNO2/c49-39-17-5-6-18-42(39)50-40-25-23-29(31-15-9-21-45-47(31)35-13-3-7-19-43(35)51-45)27-37(40)33-11-1-2-12-34(33)38-28-30(24-26-41(38)50)32-16-10-22-46-48(32)36-14-4-8-20-44(36)52-46/h1-28H
InChIKeyUAUZTQOEDPVDIA-UHFFFAOYSA-N
MW686.21 g/mol
LogP14.59
Rot. Bonds3

About 14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene

14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene (PubChem CID 121446907) has the molecular formula C48H28ClNO2 and a molecular weight of 686.21 g/mol. Its IUPAC name is 14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene.

Molecular Properties

Compound Name14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
PubChem CID121446907
Molecular FormulaC48H28ClNO2
Molecular Weight686.21 g/mol
Exact Mass685.18
IUPAC Name14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
SMILESClc1ccccc1N1c2ccc(-c3cccc4oc5ccccc5c34)cc2-c2ccccc2-c2cc(-c3cccc4oc5ccccc5c34)ccc21
InChIInChI=1S/C48H28ClNO2/c49-39-17-5-6-18-42(39)50-40-25-23-29(31-15-9-21-45-47(31)35-13-3-7-19-43(35)51-45)27-37(40)33-11-1-2-12-34(33)38-28-30(24-26-41(38)50)32-16-10-22-46-48(32)36-14-4-8-20-44(36)52-46/h1-28H
InChIKeyUAUZTQOEDPVDIA-UHFFFAOYSA-N
XLogP14.59
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.21
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene with MolForge

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Related Compounds

4,18-di(dibenzofuran-1-yl)-11-phenyl-8,14-bis(2-phenylphenyl)-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 171399750
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
3-dibenzofuran-1-yl-9-methylcarbazole
CID 137388254
9-[2-(3-dibenzofuran-1-ylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166037435
2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441918
4-dibenzofuran-1-yl-18-[2,4-di(propan-2-yl)phenyl]-11-phenyl-8,14-bis(2-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 171399740
1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran
CID 166923235
3-(2-chlorophenyl)dibenzofuran
CID 138667405
9-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole
CID 139303441
4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline
CID 164835596
9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 155232440

Frequently Asked Questions

What is the IUPAC name of 14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The IUPAC name of 14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene (CID 121446907) is 14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene.
What is the SMILES notation for 14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The canonical SMILES for 14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene is Clc1ccccc1N1c2ccc(-c3cccc4oc5ccccc5c34)cc2-c2ccccc2-c2cc(-c3cccc4oc5ccccc5c34)ccc21.
What is the InChIKey of 14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The InChIKey is UAUZTQOEDPVDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28ClNO2/c49-39-17-5-6-18-42(39)50-40-25-23-29(31-15-9-21-45-47(31)35-13-3-7-19-43(35)51-45)27-37(40)33-11-1-2-12-34(33)38-28-30(24-26-41(38)50)32-16-10-22-46-48(32)36-14-4-8-20-44(36)52-46/h1-28H.
What are the key properties of 14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene has a molecular weight of 686.21 g/mol, XLogP of 14.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene is sourced from PubChem (CID 121446907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).