4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane

C343H222N8 — CID 158170638

IUPAC4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane
SMILESC.C.CC1(C)c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2-c2cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)ccc21.c1ccc(-n2c3ccccc3c3c(-c4ccc5cc(-c6ccc7c8c(cccc68)-c6ccccc6-7)ccc5c4)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5cc(-c6ccc7c8c(cccc68)-c6ccccc6-7)ccc5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5cc(-c6ccc7c8c(cccc68)-c6ccccc6-7)ccc5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)cc32)cc1
InChIInChI=1S/C49H33N.3C44H27N.4C40H25N.2CH4/c1-49(2)43-26-22-30(33-24-25-39-36-15-7-6-14-35(36)38-19-10-18-37(33)47(38)39)28-41(43)42-29-31(23-27-44(42)49)34-17-11-21-46-48(34)40-16-8-9-20-45(40)50(46)32-12-4-3-5-13-32;1-2-10-32(11-3-1)45-41-18-7-6-14-40(41)44-34(15-9-19-42(44)45)31-23-21-28-26-30(22-20-29(28)27-31)33-24-25-39-36-13-5-4-12-35(36)38-17-8-16-37(33)43(38)39;1-2-9-33(10-3-1)45-42-16-7-6-13-37(42)41-27-31(21-24-43(41)45)29-17-18-30-26-32(20-19-28(30)25-29)34-22-23-40-36-12-5-4-11-35(36)39-15-8-14-38(34)44(39)40;1-2-9-33(10-3-1)45-42-16-7-6-13-37(42)38-22-21-31(27-43(38)45)29-17-18-30-26-32(20-19-28(30)25-29)34-23-24-41-36-12-5-4-11-35(36)40-15-8-14-39(34)44(40)41;1-2-13-28(14-3-1)41-37-21-7-6-17-36(37)40-30(18-10-22-38(40)41)27-12-8-11-26(25-27)29-23-24-35-32-16-5-4-15-31(32)34-20-9-19-33(29)39(34)35;1-2-12-29(13-3-1)41-38-19-7-6-16-33(38)37-25-27(20-23-39(37)41)26-10-8-11-28(24-26)30-21-22-36-32-15-5-4-14-31(32)35-18-9-17-34(30)40(35)36;1-2-12-29(13-3-1)41-38-19-7-6-16-33(38)34-21-20-27(25-39(34)41)26-10-8-11-28(24-26)30-22-23-37-32-15-5-4-14-31(32)36-18-9-17-35(30)40(36)37;1-2-9-29(10-3-1)41-38-16-7-6-13-33(38)34-22-21-28(25-39(34)41)26-17-19-27(20-18-26)30-23-24-37-32-12-5-4-11-31(32)36-15-8-14-35(30)40(36)37;;/h3-29H,1-2H3;3*1-27H;4*1-25H;2*1H4
InChIKeyFXKDCFSFBOATJQ-UHFFFAOYSA-N
MW4455.60 g/mol
LogP94.38
Rot. Bonds24

About 4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane

4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane (PubChem CID 158170638) has the molecular formula C343H222N8 and a molecular weight of 4455.60 g/mol. Its IUPAC name is 4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane.

Molecular Properties

Compound Name4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane
PubChem CID158170638
Molecular FormulaC343H222N8
Molecular Weight4455.60 g/mol
Exact Mass4451.76
IUPAC Name4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane
SMILESC.C.CC1(C)c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2-c2cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)ccc21.c1ccc(-n2c3ccccc3c3c(-c4ccc5cc(-c6ccc7c8c(cccc68)-c6ccccc6-7)ccc5c4)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5cc(-c6ccc7c8c(cccc68)-c6ccccc6-7)ccc5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5cc(-c6ccc7c8c(cccc68)-c6ccccc6-7)ccc5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)cc32)cc1
InChIInChI=1S/C49H33N.3C44H27N.4C40H25N.2CH4/c1-49(2)43-26-22-30(33-24-25-39-36-15-7-6-14-35(36)38-19-10-18-37(33)47(38)39)28-41(43)42-29-31(23-27-44(42)49)34-17-11-21-46-48(34)40-16-8-9-20-45(40)50(46)32-12-4-3-5-13-32;1-2-10-32(11-3-1)45-41-18-7-6-14-40(41)44-34(15-9-19-42(44)45)31-23-21-28-26-30(22-20-29(28)27-31)33-24-25-39-36-13-5-4-12-35(36)38-17-8-16-37(33)43(38)39;1-2-9-33(10-3-1)45-42-16-7-6-13-37(42)41-27-31(21-24-43(41)45)29-17-18-30-26-32(20-19-28(30)25-29)34-22-23-40-36-12-5-4-11-35(36)39-15-8-14-38(34)44(39)40;1-2-9-33(10-3-1)45-42-16-7-6-13-37(42)38-22-21-31(27-43(38)45)29-17-18-30-26-32(20-19-28(30)25-29)34-23-24-41-36-12-5-4-11-35(36)40-15-8-14-39(34)44(40)41;1-2-13-28(14-3-1)41-37-21-7-6-17-36(37)40-30(18-10-22-38(40)41)27-12-8-11-26(25-27)29-23-24-35-32-16-5-4-15-31(32)34-20-9-19-33(29)39(34)35;1-2-12-29(13-3-1)41-38-19-7-6-16-33(38)37-25-27(20-23-39(37)41)26-10-8-11-28(24-26)30-21-22-36-32-15-5-4-14-31(32)35-18-9-17-34(30)40(35)36;1-2-12-29(13-3-1)41-38-19-7-6-16-33(38)34-21-20-27(25-39(34)41)26-10-8-11-28(24-26)30-22-23-37-32-15-5-4-14-31(32)36-18-9-17-35(30)40(36)37;1-2-9-29(10-3-1)41-38-16-7-6-13-33(38)34-22-21-28(25-39(34)41)26-17-19-27(20-18-26)30-23-24-37-32-12-5-4-11-31(32)36-15-8-14-35(30)40(36)37;;/h3-29H,1-2H3;3*1-27H;4*1-25H;2*1H4
InChIKeyFXKDCFSFBOATJQ-UHFFFAOYSA-N
XLogP94.38
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms351
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004455.60
LogP ≤ 594.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane?
The IUPAC name of 4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane (CID 158170638) is 4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane.
What is the SMILES notation for 4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane?
The canonical SMILES for 4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane is C.C.CC1(C)c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2-c2cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)ccc21.c1ccc(-n2c3ccccc3c3c(-c4ccc5cc(-c6ccc7c8c(cccc68)-c6ccccc6-7)ccc5c4)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5cc(-c6ccc7c8c(cccc68)-c6ccccc6-7)ccc5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5cc(-c6ccc7c8c(cccc68)-c6ccccc6-7)ccc5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)cc32)cc1.
What is the InChIKey of 4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane?
The InChIKey is FXKDCFSFBOATJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N.3C44H27N.4C40H25N.2CH4/c1-49(2)43-26-22-30(33-24-25-39-36-15-7-6-14-35(36)38-19-10-18-37(33)47(38)39)28-41(43)42-29-31(23-27-44(42)49)34-17-11-21-46-48(34)40-16-8-9-20-45(40)50(46)32-12-4-3-5-13-32;1-2-10-32(11-3-1)45-41-18-7-6-14-40(41)44-34(15-9-19-42(44)45)31-23-21-28-26-30(22-20-29(28)27-31)33-24-25-39-36-13-5-4-12-35(36)38-17-8-16-37(33)43(38)39;1-2-9-33(10-3-1)45-42-16-7-6-13-37(42)41-27-31(21-24-43(41)45)29-17-18-30-26-32(20-19-28(30)25-29)34-22-23-40-36-12-5-4-11-35(36)39-15-8-14-38(34)44(39)40;1-2-9-33(10-3-1)45-42-16-7-6-13-37(42)38-22-21-31(27-43(38)45)29-17-18-30-26-32(20-19-28(30)25-29)34-23-24-41-36-12-5-4-11-35(36)40-15-8-14-39(34)44(40)41;1-2-13-28(14-3-1)41-37-21-7-6-17-36(37)40-30(18-10-22-38(40)41)27-12-8-11-26(25-27)29-23-24-35-32-16-5-4-15-31(32)34-20-9-19-33(29)39(34)35;1-2-12-29(13-3-1)41-38-19-7-6-16-33(38)37-25-27(20-23-39(37)41)26-10-8-11-28(24-26)30-21-22-36-32-15-5-4-14-31(32)35-18-9-17-34(30)40(35)36;1-2-12-29(13-3-1)41-38-19-7-6-16-33(38)34-21-20-27(25-39(34)41)26-10-8-11-28(24-26)30-22-23-37-32-15-5-4-14-31(32)36-18-9-17-35(30)40(36)37;1-2-9-29(10-3-1)41-38-16-7-6-13-33(38)34-22-21-28(25-39(34)41)26-17-19-27(20-18-26)30-23-24-37-32-12-5-4-11-31(32)36-15-8-14-35(30)40(36)37;;/h3-29H,1-2H3;3*1-27H;4*1-25H;2*1H4.
What are the key properties of 4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane?
4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane has a molecular weight of 4455.60 g/mol, XLogP of 94.38, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane is sourced from PubChem (CID 158170638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).