3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine

C137H84N4O3S — CID 157149241

IUPAC3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine
SMILESc1ccc(-c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)ccc3c3cc4oc5ccccc5c4cc23)cc1.c1ccc(-c2ccc3c(c2)c(-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)cc2cc4c(cc23)sc2ccccc24)cc1.c1cncc(-c2ccc3c(-c4ccc5oc6ccccc6c5c4)cc4cc5c(cc4c3c2)oc2ccccc25)c1
InChIInChI=1S/C56H36N2O.C44H27NS.C37H21NO2/c1-5-17-37(18-6-1)55-50-35-48-45-26-14-16-28-53(45)59-54(48)36-46(50)43-31-30-42(57(39-19-7-2-8-20-39)40-21-9-3-10-22-40)34-49(43)56(55)38-29-32-52-47(33-38)44-25-13-15-27-51(44)58(52)41-23-11-4-12-24-41;1-3-11-28(12-4-1)29-19-21-33-38-27-44-40(36-16-8-10-18-43(36)46-44)25-31(38)24-37(39(33)23-29)30-20-22-35-34-15-7-9-17-41(34)45(42(35)26-30)32-13-5-2-6-14-32;1-3-9-34-27(7-1)32-17-23(12-14-36(32)39-34)29-18-25-19-33-28-8-2-4-10-35(28)40-37(33)20-30(25)31-16-22(11-13-26(29)31)24-6-5-15-38-21-24/h1-36H;1-27H;1-21H
InChIKeyALBIESHZPAHTJW-UHFFFAOYSA-N
MW1866.27 g/mol
LogP39.11
Rot. Bonds11

About 3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine

3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine (PubChem CID 157149241) has the molecular formula C137H84N4O3S and a molecular weight of 1866.27 g/mol. Its IUPAC name is 3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine.

Molecular Properties

Compound Name3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine
PubChem CID157149241
Molecular FormulaC137H84N4O3S
Molecular Weight1866.27 g/mol
Exact Mass1864.63
IUPAC Name3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine
SMILESc1ccc(-c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)ccc3c3cc4oc5ccccc5c4cc23)cc1.c1ccc(-c2ccc3c(c2)c(-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)cc2cc4c(cc23)sc2ccccc24)cc1.c1cncc(-c2ccc3c(-c4ccc5oc6ccccc6c5c4)cc4cc5c(cc4c3c2)oc2ccccc25)c1
InChIInChI=1S/C56H36N2O.C44H27NS.C37H21NO2/c1-5-17-37(18-6-1)55-50-35-48-45-26-14-16-28-53(45)59-54(48)36-46(50)43-31-30-42(57(39-19-7-2-8-20-39)40-21-9-3-10-22-40)34-49(43)56(55)38-29-32-52-47(33-38)44-25-13-15-27-51(44)58(52)41-23-11-4-12-24-41;1-3-11-28(12-4-1)29-19-21-33-38-27-44-40(36-16-8-10-18-43(36)46-44)25-31(38)24-37(39(33)23-29)30-20-22-35-34-15-7-9-17-41(34)45(42(35)26-30)32-13-5-2-6-14-32;1-3-9-34-27(7-1)32-17-23(12-14-36(32)39-34)29-18-25-19-33-28-8-2-4-10-35(28)40-37(33)20-30(25)31-16-22(11-13-26(29)31)24-6-5-15-38-21-24/h1-36H;1-27H;1-21H
InChIKeyALBIESHZPAHTJW-UHFFFAOYSA-N
XLogP39.11
TPSA65.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001866.27
LogP ≤ 539.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine with MolForge

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Related Compounds

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CID 122666307
CID 157225149
CID 157225149
15-(1-benzothiophen-3-yl)-17-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;15-(9-phenylcarbazol-3-yl)-10-oxa-19,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 157258443
9-(10-Anthracen-9-ylanthracen-9-yl)-11,11-dimethylphenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;9-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;9-[10-(4-octylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;19-[10-(10-phenanthren-3-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;3-[10-(10-phenanthro[1,2-b][1]benzothiol-9-ylanthracen-9-yl)anthracen-9-yl]-9-phenylcarbazole
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20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
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Frequently Asked Questions

What is the IUPAC name of 3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine?
The IUPAC name of 3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine (CID 157149241) is 3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine.
What is the SMILES notation for 3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine?
The canonical SMILES for 3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine is c1ccc(-c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)ccc3c3cc4oc5ccccc5c4cc23)cc1.c1ccc(-c2ccc3c(c2)c(-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)cc2cc4c(cc23)sc2ccccc24)cc1.c1cncc(-c2ccc3c(-c4ccc5oc6ccccc6c5c4)cc4cc5c(cc4c3c2)oc2ccccc25)c1.
What is the InChIKey of 3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine?
The InChIKey is ALBIESHZPAHTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O.C44H27NS.C37H21NO2/c1-5-17-37(18-6-1)55-50-35-48-45-26-14-16-28-53(45)59-54(48)36-46(50)43-31-30-42(57(39-19-7-2-8-20-39)40-21-9-3-10-22-40)34-49(43)56(55)38-29-32-52-47(33-38)44-25-13-15-27-51(44)58(52)41-23-11-4-12-24-41;1-3-11-28(12-4-1)29-19-21-33-38-27-44-40(36-16-8-10-18-43(36)46-44)25-31(38)24-37(39(33)23-29)30-20-22-35-34-15-7-9-17-41(34)45(42(35)26-30)32-13-5-2-6-14-32;1-3-9-34-27(7-1)32-17-23(12-14-36(32)39-34)29-18-25-19-33-28-8-2-4-10-35(28)40-37(33)20-30(25)31-16-22(11-13-26(29)31)24-6-5-15-38-21-24/h1-36H;1-27H;1-21H.
What are the key properties of 3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine?
3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine has a molecular weight of 1866.27 g/mol, XLogP of 39.11, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine is sourced from PubChem (CID 157149241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).