15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene

C148H88N8OS3 — CID 157169954

IUPAC15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene
SMILESc1ccc(-c2c3c4c(cccc4n2-c2ccccc2)-c2cccc4sc5cccc-3c5c24)cc1.c1ccc(-c2c3c4c(cccc4n2-c2ccccn2)-c2cccc4sc5cccc-3c5c24)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c(-c4ccccc4)c4c5c(cccc53)-c3cccc5sc6cccc-4c6c35)n2)cc1.c1ccc2c(c1)-c1ccccc1-c1c(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc3cccc-2c13
InChIInChI=1S/C44H27NO.C41H24N4S.C32H19NS.C31H18N2S/c1-2-11-33-32(10-1)34-12-3-4-15-38(34)43-42-37(33)16-9-19-41(42)46-44(43)30-22-20-28(21-23-30)29-24-26-31(27-25-29)45-39-17-7-5-13-35(39)36-14-6-8-18-40(36)45;1-4-13-25(14-5-1)38-37-30-21-12-24-33-36(30)35-29(20-11-23-32(35)46-33)28-19-10-22-31(34(28)37)45(38)41-43-39(26-15-6-2-7-16-26)42-40(44-41)27-17-8-3-9-18-27;1-3-10-20(11-4-1)32-31-24-16-9-19-27-30(24)29-23(15-8-18-26(29)34-27)22-14-7-17-25(28(22)31)33(32)21-12-5-2-6-13-21;1-2-9-19(10-3-1)31-30-22-13-8-16-25-29(22)28-21(12-7-15-24(28)34-25)20-11-6-14-23(27(20)30)33(31)26-17-4-5-18-32-26/h1-27H;1-24H;1-19H;1-18H
InChIKeyANIRFEQEQFYWNT-UHFFFAOYSA-N
MW2090.59 g/mol
LogP41.03
Rot. Bonds11

About 15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene

15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene (PubChem CID 157169954) has the molecular formula C148H88N8OS3 and a molecular weight of 2090.59 g/mol. Its IUPAC name is 15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene.

Molecular Properties

Compound Name15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene
PubChem CID157169954
Molecular FormulaC148H88N8OS3
Molecular Weight2090.59 g/mol
Exact Mass2088.62
IUPAC Name15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene
SMILESc1ccc(-c2c3c4c(cccc4n2-c2ccccc2)-c2cccc4sc5cccc-3c5c24)cc1.c1ccc(-c2c3c4c(cccc4n2-c2ccccn2)-c2cccc4sc5cccc-3c5c24)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c(-c4ccccc4)c4c5c(cccc53)-c3cccc5sc6cccc-4c6c35)n2)cc1.c1ccc2c(c1)-c1ccccc1-c1c(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc3cccc-2c13
InChIInChI=1S/C44H27NO.C41H24N4S.C32H19NS.C31H18N2S/c1-2-11-33-32(10-1)34-12-3-4-15-38(34)43-42-37(33)16-9-19-41(42)46-44(43)30-22-20-28(21-23-30)29-24-26-31(27-25-29)45-39-17-7-5-13-35(39)36-14-6-8-18-40(36)45;1-4-13-25(14-5-1)38-37-30-21-12-24-33-36(30)35-29(20-11-23-32(35)46-33)28-19-10-22-31(34(28)37)45(38)41-43-39(26-15-6-2-7-16-26)42-40(44-41)27-17-8-3-9-18-27;1-3-10-20(11-4-1)32-31-24-16-9-19-27-30(24)29-23(15-8-18-26(29)34-27)22-14-7-17-25(28(22)31)33(32)21-12-5-2-6-13-21;1-2-9-19(10-3-1)31-30-22-13-8-16-25-29(22)28-21(12-7-15-24(28)34-25)20-11-6-14-23(27(20)30)33(31)26-17-4-5-18-32-26/h1-27H;1-24H;1-19H;1-18H
InChIKeyANIRFEQEQFYWNT-UHFFFAOYSA-N
XLogP41.03
TPSA84.42 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms160
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002090.59
LogP ≤ 541.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene?
The IUPAC name of 15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene (CID 157169954) is 15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene.
What is the SMILES notation for 15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene?
The canonical SMILES for 15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene is c1ccc(-c2c3c4c(cccc4n2-c2ccccc2)-c2cccc4sc5cccc-3c5c24)cc1.c1ccc(-c2c3c4c(cccc4n2-c2ccccn2)-c2cccc4sc5cccc-3c5c24)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c(-c4ccccc4)c4c5c(cccc53)-c3cccc5sc6cccc-4c6c35)n2)cc1.c1ccc2c(c1)-c1ccccc1-c1c(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc3cccc-2c13.
What is the InChIKey of 15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene?
The InChIKey is ANIRFEQEQFYWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO.C41H24N4S.C32H19NS.C31H18N2S/c1-2-11-33-32(10-1)34-12-3-4-15-38(34)43-42-37(33)16-9-19-41(42)46-44(43)30-22-20-28(21-23-30)29-24-26-31(27-25-29)45-39-17-7-5-13-35(39)36-14-6-8-18-40(36)45;1-4-13-25(14-5-1)38-37-30-21-12-24-33-36(30)35-29(20-11-23-32(35)46-33)28-19-10-22-31(34(28)37)45(38)41-43-39(26-15-6-2-7-16-26)42-40(44-41)27-17-8-3-9-18-27;1-3-10-20(11-4-1)32-31-24-16-9-19-27-30(24)29-23(15-8-18-26(29)34-27)22-14-7-17-25(28(22)31)33(32)21-12-5-2-6-13-21;1-2-9-19(10-3-1)31-30-22-13-8-16-25-29(22)28-21(12-7-15-24(28)34-25)20-11-6-14-23(27(20)30)33(31)26-17-4-5-18-32-26/h1-27H;1-24H;1-19H;1-18H.
What are the key properties of 15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene?
15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene has a molecular weight of 2090.59 g/mol, XLogP of 41.03, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-diphenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene;9-[4-[4-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)phenyl]phenyl]carbazole;15-phenyl-16-pyridin-2-yl-22-thia-16-azahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaene is sourced from PubChem (CID 157169954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).