About 2-(12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;12-[5,5-dimethyl-4-[3-(9-phenylfluoren-9-yl)phenyl]indeno[1,2-d]pyrimidin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
2-(12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;12-[5,5-dimethyl-4-[3-(9-phenylfluoren-9-yl)phenyl]indeno[1,2-d]pyrimidin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (PubChem CID 159670663) has the molecular formula C168H109N9OS
and a molecular weight of 2301.85 g/mol. Its IUPAC name is 2-(12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;12-[5,5-dimethyl-4-[3-(9-phenylfluoren-9-yl)phenyl]indeno[1,2-d]pyrimidin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.
Frequently Asked Questions
What is the IUPAC name of 2-(12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;12-[5,5-dimethyl-4-[3-(9-phenylfluoren-9-yl)phenyl]indeno[1,2-d]pyrimidin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The IUPAC name of 2-(12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;12-[5,5-dimethyl-4-[3-(9-phenylfluoren-9-yl)phenyl]indeno[1,2-d]pyrimidin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (CID 159670663) is 2-(12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;12-[5,5-dimethyl-4-[3-(9-phenylfluoren-9-yl)phenyl]indeno[1,2-d]pyrimidin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.
What is the SMILES notation for 2-(12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;12-[5,5-dimethyl-4-[3-(9-phenylfluoren-9-yl)phenyl]indeno[1,2-d]pyrimidin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The canonical SMILES for 2-(12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;12-[5,5-dimethyl-4-[3-(9-phenylfluoren-9-yl)phenyl]indeno[1,2-d]pyrimidin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is C1=CC2c3ccc(-c4nc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)nc5c4sc4ccccc45)cc3C(c3ccccc3)(c3ccccc3)C2C=C1.C1=CC2c3ccc(-c4nc(-n5c6cc7ccccc7cc6c6ccc7ccccc7c65)nc5c4oc4ccccc45)cc3C(c3ccccc3)(c3ccccc3)C2C=C1.CC1(C)c2ccccc2-c2nc(-n3c4cc5ccccc5cc4c4cc5ccccc5cc43)nc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c21.
What is the InChIKey of 2-(12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;12-[5,5-dimethyl-4-[3-(9-phenylfluoren-9-yl)phenyl]indeno[1,2-d]pyrimidin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The InChIKey is MTYOCYZFNKVZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3.C55H35N3O.C55H35N3S/c1-57(2)48-28-13-12-27-45(48)55-53(57)54(40-21-16-24-42(31-40)58(41-22-4-3-5-23-41)49-29-14-10-25-43(49)44-26-11-15-30-50(44)58)59-56(60-55)61-51-34-38-19-8-6-17-36(38)32-46(51)47-33-37-18-7-9-20-39(37)35-52(47)61;1-3-18-38(19-4-1)55(39-20-5-2-6-21-39)46-25-13-11-23-41(46)42-29-28-37(32-47(42)55)50-53-51(44-24-12-14-26-49(44)59-53)57-54(56-50)58-48-33-36-17-8-7-16-35(36)31-45(48)43-30-27-34-15-9-10-22-40(34)52(43)58;1-3-18-38(19-4-1)55(39-20-5-2-6-21-39)45-25-13-11-23-41(45)42-29-27-37(32-46(42)55)51-53-52(43-24-12-14-26-49(43)59-53)57-54(56-51)58-47-30-28-34-15-9-10-22-40(34)50(47)44-31-35-16-7-8-17-36(35)33-48(44)58/h3-35H,1-2H3;1-33,41,46H;1-33,41,45H.
What are the key properties of 2-(12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;12-[5,5-dimethyl-4-[3-(9-phenylfluoren-9-yl)phenyl]indeno[1,2-d]pyrimidin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
2-(12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;12-[5,5-dimethyl-4-[3-(9-phenylfluoren-9-yl)phenyl]indeno[1,2-d]pyrimidin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene has a molecular weight of 2301.85 g/mol, XLogP of 41.93, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;12-[5,5-dimethyl-4-[3-(9-phenylfluoren-9-yl)phenyl]indeno[1,2-d]pyrimidin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is sourced from PubChem (CID 159670663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).