2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline

C167H121N9 — CID 158193977

IUPAC2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c21.CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)c21.CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6ccccc56)cc4)n3)c21.CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6cccnc56)cc4)n3)c21
InChIInChI=1S/C51H36N2.C41H30N2.C40H29N3.C35H26N2/c1-51(2)46-17-8-7-14-43(46)44-15-9-16-45(49(44)51)50-52-47(37-24-18-35(19-25-37)41-28-22-33-10-3-5-12-39(33)30-41)32-48(53-50)38-26-20-36(21-27-38)42-29-23-34-11-4-6-13-40(34)31-42;1-41(2)36-21-9-8-17-33(36)34-19-11-20-35(39(34)41)40-42-37(29-13-4-3-5-14-29)26-38(43-40)30-24-22-28(23-25-30)32-18-10-15-27-12-6-7-16-31(27)32;1-40(2)34-19-7-6-15-31(34)32-17-9-18-33(37(32)40)39-42-35(27-11-4-3-5-12-27)25-36(43-39)28-22-20-26(21-23-28)30-16-8-13-29-14-10-24-41-38(29)30;1-35(2)30-21-26-17-10-9-16-25(26)20-29(30)27-18-11-19-28(33(27)35)34-36-31(23-12-5-3-6-13-23)22-32(37-34)24-14-7-4-8-15-24/h3-32H,1-2H3;3-26H,1-2H3;3-25H,1-2H3;3-22H,1-2H3
InChIKeyGACOORRRXHGANT-UHFFFAOYSA-N
MW2253.87 g/mol
LogP42.96
Rot. Bonds16

About 2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline

2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline (PubChem CID 158193977) has the molecular formula C167H121N9 and a molecular weight of 2253.87 g/mol. Its IUPAC name is 2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline.

Molecular Properties

Compound Name2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline
PubChem CID158193977
Molecular FormulaC167H121N9
Molecular Weight2253.87 g/mol
Exact Mass2251.97
IUPAC Name2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c21.CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)c21.CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6ccccc56)cc4)n3)c21.CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6cccnc56)cc4)n3)c21
InChIInChI=1S/C51H36N2.C41H30N2.C40H29N3.C35H26N2/c1-51(2)46-17-8-7-14-43(46)44-15-9-16-45(49(44)51)50-52-47(37-24-18-35(19-25-37)41-28-22-33-10-3-5-12-39(33)30-41)32-48(53-50)38-26-20-36(21-27-38)42-29-23-34-11-4-6-13-40(34)31-42;1-41(2)36-21-9-8-17-33(36)34-19-11-20-35(39(34)41)40-42-37(29-13-4-3-5-14-29)26-38(43-40)30-24-22-28(23-25-30)32-18-10-15-27-12-6-7-16-31(27)32;1-40(2)34-19-7-6-15-31(34)32-17-9-18-33(37(32)40)39-42-35(27-11-4-3-5-12-27)25-36(43-39)28-22-20-26(21-23-28)30-16-8-13-29-14-10-24-41-38(29)30;1-35(2)30-21-26-17-10-9-16-25(26)20-29(30)27-18-11-19-28(33(27)35)34-36-31(23-12-5-3-6-13-23)22-32(37-34)24-14-7-4-8-15-24/h3-32H,1-2H3;3-26H,1-2H3;3-25H,1-2H3;3-22H,1-2H3
InChIKeyGACOORRRXHGANT-UHFFFAOYSA-N
XLogP42.96
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002253.87
LogP ≤ 542.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline with MolForge

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Related Compounds

8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline
CID 126544539
2,4-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;8-[4-[4-(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 161276945
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779131
8-[4-[4-(10,10-dimethyl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaenyl)-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 153288173
2,4-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 165041588
4-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779099
2-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-4-(3-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168778076
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 158744831
2-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-4-(2-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168778246
2-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 168779483
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168777428
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778095

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline?
The IUPAC name of 2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline (CID 158193977) is 2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline.
What is the SMILES notation for 2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline?
The canonical SMILES for 2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline is CC1(C)c2cc3ccccc3cc2-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c21.CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)c21.CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6ccccc56)cc4)n3)c21.CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6cccnc56)cc4)n3)c21.
What is the InChIKey of 2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline?
The InChIKey is GACOORRRXHGANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2.C41H30N2.C40H29N3.C35H26N2/c1-51(2)46-17-8-7-14-43(46)44-15-9-16-45(49(44)51)50-52-47(37-24-18-35(19-25-37)41-28-22-33-10-3-5-12-39(33)30-41)32-48(53-50)38-26-20-36(21-27-38)42-29-23-34-11-4-6-13-40(34)31-42;1-41(2)36-21-9-8-17-33(36)34-19-11-20-35(39(34)41)40-42-37(29-13-4-3-5-14-29)26-38(43-40)30-24-22-28(23-25-30)32-18-10-15-27-12-6-7-16-31(27)32;1-40(2)34-19-7-6-15-31(34)32-17-9-18-33(37(32)40)39-42-35(27-11-4-3-5-12-27)25-36(43-39)28-22-20-26(21-23-28)30-16-8-13-29-14-10-24-41-38(29)30;1-35(2)30-21-26-17-10-9-16-25(26)20-29(30)27-18-11-19-28(33(27)35)34-36-31(23-12-5-3-6-13-23)22-32(37-34)24-14-7-4-8-15-24/h3-32H,1-2H3;3-26H,1-2H3;3-25H,1-2H3;3-22H,1-2H3.
What are the key properties of 2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline?
2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline has a molecular weight of 2253.87 g/mol, XLogP of 42.96, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline is sourced from PubChem (CID 158193977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).