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

C48H30ClNO2 — CID 145108624

IUPAC10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
SMILESClc1ccccc1N1c2ccc(C3=CC4c5ccccc5OC4C=C3)cc2-c2ccccc2-c2cc(-c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C48H30ClNO2/c49-41-13-5-6-14-44(41)50-42-21-17-29(31-19-23-47-39(27-31)35-11-3-7-15-45(35)51-47)25-37(42)33-9-1-2-10-34(33)38-26-30(18-22-43(38)50)32-20-24-48-40(28-32)36-12-4-8-16-46(36)52-48/h1-28,39,47H
InChIKeyKGPNODSMBUQKHJ-UHFFFAOYSA-N
MW688.23 g/mol
LogP13.52
Rot. Bonds3

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

10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-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 145108624) has the molecular formula C48H30ClNO2 and a molecular weight of 688.23 g/mol. Its IUPAC name is 10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-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 Name10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
PubChem CID145108624
Molecular FormulaC48H30ClNO2
Molecular Weight688.23 g/mol
Exact Mass687.20
IUPAC Name10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
SMILESClc1ccccc1N1c2ccc(C3=CC4c5ccccc5OC4C=C3)cc2-c2ccccc2-c2cc(-c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C48H30ClNO2/c49-41-13-5-6-14-44(41)50-42-21-17-29(31-19-23-47-39(27-31)35-11-3-7-15-45(35)51-47)25-37(42)33-9-1-2-10-34(33)38-26-30(18-22-43(38)50)32-20-24-48-40(28-32)36-12-4-8-16-46(36)52-48/h1-28,39,47H
InChIKeyKGPNODSMBUQKHJ-UHFFFAOYSA-N
XLogP13.52
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.23
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-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

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
N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 121321717
7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene
CID 59793428
5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 129136413
N-[4-(14-dibenzofuran-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 129062185
2-(2-methylphenyl)dibenzofuran
CID 118188503
2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole
CID 145318401
2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran
CID 134428938
5-(4a,9b-dihydrodibenzofuran-2-yl)-21-dibenzofuran-2-yl-5,21-diazanonacyclo[16.14.1.12,13.04,12.06,11.020,28.022,27.029,33.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20(28),22,24,26,29,31-hexadecaene
CID 163986854
9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole
CID 87415451
5,23-di(dibenzofuran-2-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene
CID 140834863
2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]-5a,9a-dihydrodibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine
CID 118069042

Frequently Asked Questions

What is the IUPAC name of 10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-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 10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene (CID 145108624) is 10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-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 10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-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 10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-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(C3=CC4c5ccccc5OC4C=C3)cc2-c2ccccc2-c2cc(-c3ccc4oc5ccccc5c4c3)ccc21.
What is the InChIKey of 10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-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 KGPNODSMBUQKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30ClNO2/c49-41-13-5-6-14-44(41)50-42-21-17-29(31-19-23-47-39(27-31)35-11-3-7-15-45(35)51-47)25-37(42)33-9-1-2-10-34(33)38-26-30(18-22-43(38)50)32-20-24-48-40(28-32)36-12-4-8-16-46(36)52-48/h1-28,39,47H.
What are the key properties of 10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-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 688.23 g/mol, XLogP of 13.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-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 145108624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).