About 11-[3-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3-tert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3,5-ditert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-propan-2-ylphenyl]-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
11-[3-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3-tert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3,5-ditert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-propan-2-ylphenyl]-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 160683619) has the molecular formula C255H190B4N4S8
and a molecular weight of 3610.14 g/mol. Its IUPAC name is 11-[3-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3-tert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3,5-ditert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-propan-2-ylphenyl]-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.
Frequently Asked Questions
What is the IUPAC name of 11-[3-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3-tert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3,5-ditert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-propan-2-ylphenyl]-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The IUPAC name of 11-[3-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3-tert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3,5-ditert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-propan-2-ylphenyl]-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 160683619) is 11-[3-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3-tert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3,5-ditert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-propan-2-ylphenyl]-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.
What is the SMILES notation for 11-[3-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3-tert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3,5-ditert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-propan-2-ylphenyl]-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The canonical SMILES for 11-[3-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3-tert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3,5-ditert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-propan-2-ylphenyl]-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is CC(C)(C)c1cc(-c2cc(-c3cc4c5c(c3)Sc3cc(N(c6ccccc6)c6ccccc6)ccc3B5c3ccccc3S4)cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc3c4c(c2)Sc2cc(N(c5ccccc5)c5ccccc5)ccc2B4c2ccccc2S3)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.CC(C)(C)c1cccc(-c2cc(-c3cc4c5c(c3)Sc3cc(N(c6ccccc6)c6ccccc6)ccc3B5c3ccccc3S4)cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c2)c1.CC(C)c1cc(-c2cc3c4c(c2)Sc2cc(N(c5ccccc5)c5ccccc5)ccc2B4c2ccccc2S3)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.
What is the InChIKey of 11-[3-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3-tert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3,5-ditert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-propan-2-ylphenyl]-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The InChIKey is ROLWGVWZPHOLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H56BNS2.C66H48BNS2.C60H44BNS2.C59H42BNS2/c1-69(2,3)51-39-48(40-52(43-51)70(4,5)6)46-36-47(38-50(37-46)67-58-30-18-16-28-56(58)66(45-22-10-7-11-23-45)57-29-17-19-31-59(57)67)49-41-64-68-65(42-49)74-63-44-55(34-35-61(63)71(68)60-32-20-21-33-62(60)73-64)72(53-24-12-8-13-25-53)54-26-14-9-15-27-54;1-66(2,3)49-23-19-22-44(39-49)45-36-46(38-48(37-45)64-55-30-15-13-28-53(55)63(43-20-7-4-8-21-43)54-29-14-16-31-56(54)64)47-40-61-65-62(41-47)70-60-42-52(34-35-58(60)67(65)57-32-17-18-33-59(57)69-61)68(50-24-9-5-10-25-50)51-26-11-6-12-27-51;1-60(2,3)43-34-40(33-42(35-43)58-49-27-15-13-25-47(49)57(39-19-7-4-8-20-39)48-26-14-16-28-50(48)58)41-36-55-59-56(37-41)64-54-38-46(31-32-52(54)61(59)51-29-17-18-30-53(51)63-55)62(44-21-9-5-10-22-44)45-23-11-6-12-24-45;1-38(2)40-32-41(34-43(33-40)58-49-26-14-12-24-47(49)57(39-18-6-3-7-19-39)48-25-13-15-27-50(48)58)42-35-55-59-56(36-42)63-54-37-46(30-31-52(54)60(59)51-28-16-17-29-53(51)62-55)61(44-20-8-4-9-21-44)45-22-10-5-11-23-45/h7-44H,1-6H3;4-42H,1-3H3;4-38H,1-3H3;3-38H,1-2H3.
What are the key properties of 11-[3-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3-tert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3,5-ditert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-propan-2-ylphenyl]-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
11-[3-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3-tert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3,5-ditert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-propan-2-ylphenyl]-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 3610.14 g/mol, XLogP of 65.28, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3-tert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;11-[3-(3,5-ditert-butylphenyl)-5-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-propan-2-ylphenyl]-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 160683619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).