2-(7-tert-butyl-9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzofuro[3,2-b]quinoline;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline;2-[6-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline

C263H171N19OS2 — CID 163664906

About 2-(7-tert-butyl-9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzofuro[3,2-b]quinoline;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline;2-[6-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline

2-(7-tert-butyl-9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzofuro[3,2-b]quinoline;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline;2-[6-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline (PubChem CID 163664906) has the molecular formula C263H171N19OS2 and a molecular weight of 3677.53 g/mol. Its IUPAC name is 2-(7-tert-butyl-9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzofuro[3,2-b]quinoline;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline;2-[6-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline.

Molecular Properties

• Compound Name: 2-(7-tert-butyl-9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzofuro[3,2-b]quinoline;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline;2-[6-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline
• PubChem CID: 163664906
• Molecular Formula: C263H171N19OS2
• Molecular Weight: 3677.53 g/mol
• Exact Mass: 3674.34
• IUPAC Name: 2-(7-tert-butyl-9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzofuro[3,2-b]quinoline;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline;2-[6-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline
• SMILES: CC(C)(C)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5ccccc5c4)n3)ccc1-2.CC1(C)c2cc(-c3ccc4cc(-c5nc(-c6ccccc6)nc(-c6cc7ccccc7c7ccccc67)n5)ccc4c3)ccc2-c2c1c1ccccc1c1ccccc21.c1ccc(-c2ccc(-c3cc(-c4c5ccccc5nc5c4sc4ccccc45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccc4nc5c(cc4c3)oc3ccccc35)n2)cc1.c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccc4nc5c(cc4c3)sc3ccccc35)n2)cc1
• InChI: InChI=1S/C60H45N3.C56H37N3.C55H33N5O.C55H33N5S.C37H23N3S/c1-59(2,3)51-31-33-53-52-32-30-45(38-54(52)60(55(53)39-51,49-24-12-6-13-25-49)50-26-14-7-15-27-50)57-61-56(44-29-28-42-22-16-17-23-43(42)34-44)62-58(63-57)48-36-46(40-18-8-4-9-19-40)35-47(37-48)41-20-10-5-11-21-41;1-56(2)50-33-38(28-29-48(50)51-46-22-12-10-19-43(46)44-20-11-13-23-47(44)52(51)56)36-24-25-37-31-40(27-26-35(37)30-36)54-57-53(34-14-4-3-5-15-34)58-55(59-54)49-32-39-16-6-7-17-41(39)42-18-8-9-21-45(42)49;2*1-2-14-34(15-3-1)55-57-46(35-26-27-45-36(28-35)31-53-54(56-45)44-20-8-13-25-52(44)61-53)33-47(58-55)37-29-38(59-48-21-9-4-16-40(48)41-17-5-10-22-49(41)59)32-39(30-37)60-50-23-11-6-18-42(50)43-19-7-12-24-51(43)60;1-3-11-24(12-4-1)25-19-21-26(22-20-25)31-23-32(40-37(39-31)27-13-5-2-6-14-27)34-28-15-7-9-17-30(28)38-35-29-16-8-10-18-33(29)41-36(34)35/h4-39H,1-3H3;3-33H,1-2H3;2*1-33H;1-23H
• InChIKey: IXNCFFRVINAIIP-UHFFFAOYSA-N
• XLogP: 68.40
• TPSA: 226.21 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 285
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3677.53
LogP ≤ 5	68.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(7-tert-butyl-9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzofuro[3,2-b]quinoline;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline;2-[6-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline?

The IUPAC name of 2-(7-tert-butyl-9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzofuro[3,2-b]quinoline;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline;2-[6-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline (CID 163664906) is 2-(7-tert-butyl-9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzofuro[3,2-b]quinoline;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline;2-[6-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline.

What is the SMILES notation for 2-(7-tert-butyl-9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzofuro[3,2-b]quinoline;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline;2-[6-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline?

The canonical SMILES for 2-(7-tert-butyl-9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzofuro[3,2-b]quinoline;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline;2-[6-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline is CC(C)(C)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5ccccc5c4)n3)ccc1-2.CC1(C)c2cc(-c3ccc4cc(-c5nc(-c6ccccc6)nc(-c6cc7ccccc7c7ccccc67)n5)ccc4c3)ccc2-c2c1c1ccccc1c1ccccc21.c1ccc(-c2ccc(-c3cc(-c4c5ccccc5nc5c4sc4ccccc45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccc4nc5c(cc4c3)oc3ccccc35)n2)cc1.c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccc4nc5c(cc4c3)sc3ccccc35)n2)cc1.

What is the InChIKey of 2-(7-tert-butyl-9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzofuro[3,2-b]quinoline;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline;2-[6-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline?

The InChIKey is IXNCFFRVINAIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N3.C56H37N3.C55H33N5O.C55H33N5S.C37H23N3S/c1-59(2,3)51-31-33-53-52-32-30-45(38-54(52)60(55(53)39-51,49-24-12-6-13-25-49)50-26-14-7-15-27-50)57-61-56(44-29-28-42-22-16-17-23-43(42)34-44)62-58(63-57)48-36-46(40-18-8-4-9-19-40)35-47(37-48)41-20-10-5-11-21-41;1-56(2)50-33-38(28-29-48(50)51-46-22-12-10-19-43(46)44-20-11-13-23-47(44)52(51)56)36-24-25-37-31-40(27-26-35(37)30-36)54-57-53(34-14-4-3-5-15-34)58-55(59-54)49-32-39-16-6-7-17-41(39)42-18-8-9-21-45(42)49;2*1-2-14-34(15-3-1)55-57-46(35-26-27-45-36(28-35)31-53-54(56-45)44-20-8-13-25-52(44)61-53)33-47(58-55)37-29-38(59-48-21-9-4-16-40(48)41-17-5-10-22-49(41)59)32-39(30-37)60-50-23-11-6-18-42(50)43-19-7-12-24-51(43)60;1-3-11-24(12-4-1)25-19-21-26(22-20-25)31-23-32(40-37(39-31)27-13-5-2-6-14-27)34-28-15-7-9-17-30(28)38-35-29-16-8-10-18-33(29)41-36(34)35/h4-39H,1-3H3;3-33H,1-2H3;2*1-33H;1-23H.

What are the key properties of 2-(7-tert-butyl-9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzofuro[3,2-b]quinoline;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline;2-[6-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline?

2-(7-tert-butyl-9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzofuro[3,2-b]quinoline;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline;2-[6-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline has a molecular weight of 3677.53 g/mol, XLogP of 68.40, 25 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-tert-butyl-9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzofuro[3,2-b]quinoline;2-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline;2-[6-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]quinoline is sourced from PubChem (CID 163664906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).