About 17-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[3-carbazol-9-yl-5-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]carbazole;12,12-dimethyl-17-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12,12-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;4-[3-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]dibenzothiophene
17-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[3-carbazol-9-yl-5-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]carbazole;12,12-dimethyl-17-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12,12-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;4-[3-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]dibenzothiophene (PubChem CID 159885465) has the molecular formula C247H168N2S
and a molecular weight of 3196.14 g/mol. Its IUPAC name is 17-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[3-carbazol-9-yl-5-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]carbazole;12,12-dimethyl-17-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12,12-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;4-[3-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]dibenzothiophene.
Frequently Asked Questions
What is the IUPAC name of 17-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[3-carbazol-9-yl-5-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]carbazole;12,12-dimethyl-17-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12,12-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;4-[3-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]dibenzothiophene?
The IUPAC name of 17-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[3-carbazol-9-yl-5-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]carbazole;12,12-dimethyl-17-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12,12-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;4-[3-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]dibenzothiophene (CID 159885465) is 17-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[3-carbazol-9-yl-5-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]carbazole;12,12-dimethyl-17-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12,12-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;4-[3-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]dibenzothiophene.
What is the SMILES notation for 17-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[3-carbazol-9-yl-5-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]carbazole;12,12-dimethyl-17-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12,12-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;4-[3-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]dibenzothiophene?
The canonical SMILES for 17-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[3-carbazol-9-yl-5-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]carbazole;12,12-dimethyl-17-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12,12-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;4-[3-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]dibenzothiophene is CC1(C)c2cc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)c3ccccc3c2-c2ccc3cc(-c4cccc5ccccc45)ccc3c21.CC1(C)c2cc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)c3ccccc3c2-c2ccc3ccccc3c21.CC1(C)c2cc3cc(-c4cccc(-c5ccc6cc(-c7cc8ccc9ccccc9c8c8ccccc78)ccc6c5)c4)ccc3cc2-c2c1ccc1ccccc21.CC1(C)c2cc3ccccc3cc2-c2c1cc(-c1cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c1)c1ccccc21.CC1(C)c2cc3ccccc3cc2-c2c1cc(-c1cccc(-c3cccc4c3sc3ccccc34)c1)c1ccccc21.
What is the InChIKey of 17-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[3-carbazol-9-yl-5-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]carbazole;12,12-dimethyl-17-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12,12-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;4-[3-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]dibenzothiophene?
The InChIKey is NUBRXLGKFPUTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38.C53H36N2.C53H36.C43H30.C41H28S/c1-57(2)53-27-26-36-11-4-6-15-48(36)56(53)52-32-43-22-21-42(31-46(43)34-54(52)57)38-13-9-12-37(28-38)39-19-20-41-30-44(24-23-40(41)29-39)51-33-45-25-18-35-10-3-5-14-47(35)55(45)50-17-8-7-16-49(50)51;1-53(2)46-30-34-16-4-3-15-33(34)29-45(46)52-43-22-6-5-17-38(43)44(32-47(52)53)35-27-36(54-48-23-11-7-18-39(48)40-19-8-12-24-49(40)54)31-37(28-35)55-50-25-13-9-20-41(50)42-21-10-14-26-51(42)55;1-53(2)50-32-49(42-23-22-38-29-37(20-21-39(38)30-42)36-19-18-33-10-3-4-12-35(33)28-36)46-15-7-8-16-47(46)51(50)48-27-25-41-31-40(24-26-45(41)52(48)53)44-17-9-13-34-11-5-6-14-43(34)44;1-43(2)40-26-39(36-13-7-8-14-37(36)41(40)38-22-21-28-10-5-6-12-35(28)42(38)43)34-20-19-32-24-31(17-18-33(32)25-34)30-16-15-27-9-3-4-11-29(27)23-30;1-41(2)36-23-26-12-4-3-11-25(26)22-35(36)39-32-17-6-5-15-30(32)34(24-37(39)41)28-14-9-13-27(21-28)29-18-10-19-33-31-16-7-8-20-38(31)42-40(29)33/h3-34H,1-2H3;3-32H,1-2H3;3-32H,1-2H3;3-26H,1-2H3;3-24H,1-2H3.
What are the key properties of 17-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[3-carbazol-9-yl-5-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]carbazole;12,12-dimethyl-17-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12,12-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;4-[3-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]dibenzothiophene?
17-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[3-carbazol-9-yl-5-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]carbazole;12,12-dimethyl-17-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12,12-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;4-[3-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]dibenzothiophene has a molecular weight of 3196.14 g/mol, XLogP of 68.77, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[3-carbazol-9-yl-5-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]carbazole;12,12-dimethyl-17-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12,12-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;4-[3-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]dibenzothiophene is sourced from PubChem (CID 159885465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).