16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene

C35H21NO — CID 140920425

IUPAC16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene
SMILESc1ccc2c(c1)-c1cc(-c3cccc4c3oc3ccccc34)ccc1-c1ccccc1-c1ncccc1-2
InChIInChI=1S/C35H21NO/c1-2-11-26-24(9-1)30-16-8-20-36-34(30)29-13-4-3-10-25(29)27-19-18-22(21-32(26)27)23-14-7-15-31-28-12-5-6-17-33(28)37-35(23)31/h1-21H/b27-25-,30-24-,32-26-,34-29+
InChIKeyZNFCSWUXMANISE-CPDFGOONSA-N
MW471.56 g/mol
LogP9.63
Rot. Bonds1

About 16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene

16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene (PubChem CID 140920425) has the molecular formula C35H21NO and a molecular weight of 471.56 g/mol. Its IUPAC name is 16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene.

Molecular Properties

Compound Name16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene
PubChem CID140920425
Molecular FormulaC35H21NO
Molecular Weight471.56 g/mol
Exact Mass471.16
IUPAC Name16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene
SMILESc1ccc2c(c1)-c1cc(-c3cccc4c3oc3ccccc34)ccc1-c1ccccc1-c1ncccc1-2
InChIInChI=1S/C35H21NO/c1-2-11-26-24(9-1)30-16-8-20-36-34(30)29-13-4-3-10-25(29)27-19-18-22(21-32(26)27)23-14-7-15-31-28-12-5-6-17-33(28)37-35(23)31/h1-21H/b27-25-,30-24-,32-26-,34-29+
InChIKeyZNFCSWUXMANISE-CPDFGOONSA-N
XLogP9.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene with MolForge

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Related Compounds

16-dibenzofuran-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
CID 134428728
11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene
CID 140920272
5-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27-tetradecaene;6-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene;9-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene;10-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene;11-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene
CID 159439237
16-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
CID 137294916
6-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-tert-butylphenyl]tetraphenylen-2-yl]dibenzofuran-2-carbonitrile
CID 140920467
8-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-(2-deuteriopropan-2-yl)phenyl]tetraphenylen-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 140920255
4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
CID 134428155
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858424
4-(28-dibenzofuran-4-yl-4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;4-(29-dibenzofuran-4-yl-3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;4-(29-dibenzofuran-4-yl-4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;4-[5,28,29-tri(dibenzofuran-4-yl)-4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl]dibenzofuran;2-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;2-(4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran
CID 159395246
(3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride
CID 118935396
7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100580

Frequently Asked Questions

What is the IUPAC name of 16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene?
The IUPAC name of 16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene (CID 140920425) is 16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene.
What is the SMILES notation for 16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene?
The canonical SMILES for 16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene is c1ccc2c(c1)-c1cc(-c3cccc4c3oc3ccccc34)ccc1-c1ccccc1-c1ncccc1-2.
What is the InChIKey of 16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene?
The InChIKey is ZNFCSWUXMANISE-CPDFGOONSA-N. The full InChI is InChI=1S/C35H21NO/c1-2-11-26-24(9-1)30-16-8-20-36-34(30)29-13-4-3-10-25(29)27-19-18-22(21-32(26)27)23-14-7-15-31-28-12-5-6-17-33(28)37-35(23)31/h1-21H/b27-25-,30-24-,32-26-,34-29+.
What are the key properties of 16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene?
16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene has a molecular weight of 471.56 g/mol, XLogP of 9.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene is sourced from PubChem (CID 140920425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).