2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine

C147H112N8 — CID 165084022

IUPAC2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)cc21.CCc1cccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(CC)c5)cc4)nc(-c4ccc(-c5cccc(CC)c5)c5ccccc45)n3)cc2)c1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)c2)cc1
InChIInChI=1S/C52H35N3.C50H42N2.C45H35N3/c1-5-18-36(19-6-1)38-22-15-24-40(34-38)49-53-50(41-25-16-23-39(35-41)37-20-7-2-8-21-37)55-51(54-49)45-31-17-33-47-48(45)44-30-13-14-32-46(44)52(47,42-26-9-3-10-27-42)43-28-11-4-12-29-43;1-4-34-12-9-15-41(30-34)37-20-24-39(25-21-37)48-33-49(40-26-22-38(23-27-40)42-16-10-13-35(5-2)31-42)52-50(51-48)47-29-28-44(45-18-7-8-19-46(45)47)43-17-11-14-36(6-3)32-43;1-44(2)37-19-10-8-17-33(37)35-23-21-31(26-39(35)44)42-46-41(30-16-12-15-29(25-30)28-13-6-5-7-14-28)47-43(48-42)32-22-24-36-34-18-9-11-20-38(34)45(3,4)40(36)27-32/h1-35H;7-33H,4-6H2,1-3H3;5-27H,1-4H3
InChIKeyVOYSWTCPGNMPAZ-UHFFFAOYSA-N
MW1990.57 g/mol
LogP37.04
Rot. Bonds20

About 2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine

2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine (PubChem CID 165084022) has the molecular formula C147H112N8 and a molecular weight of 1990.57 g/mol. Its IUPAC name is 2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine
PubChem CID165084022
Molecular FormulaC147H112N8
Molecular Weight1990.57 g/mol
Exact Mass1988.90
IUPAC Name2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)cc21.CCc1cccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(CC)c5)cc4)nc(-c4ccc(-c5cccc(CC)c5)c5ccccc45)n3)cc2)c1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)c2)cc1
InChIInChI=1S/C52H35N3.C50H42N2.C45H35N3/c1-5-18-36(19-6-1)38-22-15-24-40(34-38)49-53-50(41-25-16-23-39(35-41)37-20-7-2-8-21-37)55-51(54-49)45-31-17-33-47-48(45)44-30-13-14-32-46(44)52(47,42-26-9-3-10-27-42)43-28-11-4-12-29-43;1-4-34-12-9-15-41(30-34)37-20-24-39(25-21-37)48-33-49(40-26-22-38(23-27-40)42-16-10-13-35(5-2)31-42)52-50(51-48)47-29-28-44(45-18-7-8-19-46(45)47)43-17-11-14-36(6-3)32-43;1-44(2)37-19-10-8-17-33(37)35-23-21-31(26-39(35)44)42-46-41(30-16-12-15-29(25-30)28-13-6-5-7-14-28)47-43(48-42)32-22-24-36-34-18-9-11-20-38(34)45(3,4)40(36)27-32/h1-35H;7-33H,4-6H2,1-3H3;5-27H,1-4H3
InChIKeyVOYSWTCPGNMPAZ-UHFFFAOYSA-N
XLogP37.04
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001990.57
LogP ≤ 537.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine with MolForge

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Related Compounds

bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine)
CID 158861729
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;4-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 163695786
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine
CID 168779036
2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776711
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779038
4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 168777603
10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene
CID 159278811
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 161349132
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[3-[4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 170256279
2-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4-[2-[3-[3-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 167178352
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
2-[3,5-bis(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162075973

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine?
The IUPAC name of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine (CID 165084022) is 2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine?
The canonical SMILES for 2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)cc21.CCc1cccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(CC)c5)cc4)nc(-c4ccc(-c5cccc(CC)c5)c5ccccc45)n3)cc2)c1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine?
The InChIKey is VOYSWTCPGNMPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3.C50H42N2.C45H35N3/c1-5-18-36(19-6-1)38-22-15-24-40(34-38)49-53-50(41-25-16-23-39(35-41)37-20-7-2-8-21-37)55-51(54-49)45-31-17-33-47-48(45)44-30-13-14-32-46(44)52(47,42-26-9-3-10-27-42)43-28-11-4-12-29-43;1-4-34-12-9-15-41(30-34)37-20-24-39(25-21-37)48-33-49(40-26-22-38(23-27-40)42-16-10-13-35(5-2)31-42)52-50(51-48)47-29-28-44(45-18-7-8-19-46(45)47)43-17-11-14-36(6-3)32-43;1-44(2)37-19-10-8-17-33(37)35-23-21-31(26-39(35)44)42-46-41(30-16-12-15-29(25-30)28-13-6-5-7-14-28)47-43(48-42)32-22-24-36-34-18-9-11-20-38(34)45(3,4)40(36)27-32/h1-35H;7-33H,4-6H2,1-3H3;5-27H,1-4H3.
What are the key properties of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine?
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine has a molecular weight of 1990.57 g/mol, XLogP of 37.04, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 165084022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).