5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine

C125H86N6 — CID 158077160

IUPAC5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c21
InChIInChI=1S/C43H30N2.2C41H28N2/c1-43(2)38-22-11-10-21-36(38)41-39(43)40(44-42(45-41)27-13-4-3-5-14-27)30-16-12-15-28(25-30)29-23-24-35-33-19-7-6-17-31(33)32-18-8-9-20-34(32)37(35)26-29;1-41(2)35-23-20-27(28-21-22-33-30-17-10-9-16-29(30)32-19-11-18-31(28)36(32)33)24-34(35)39-37(41)38(25-12-5-3-6-13-25)42-40(43-39)26-14-7-4-8-15-26;1-41(2)35-18-9-8-15-34(35)39-37(41)38(42-40(43-39)27-11-4-3-5-12-27)26-21-19-25(20-22-26)28-23-24-33-30-14-7-6-13-29(30)32-17-10-16-31(28)36(32)33/h3-26H,1-2H3;2*3-24H,1-2H3
InChIKeyFMMZVFZJZLAVDQ-UHFFFAOYSA-N
MW1672.11 g/mol
LogP32.41
Rot. Bonds9

About 5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine

5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine (PubChem CID 158077160) has the molecular formula C125H86N6 and a molecular weight of 1672.11 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
PubChem CID158077160
Molecular FormulaC125H86N6
Molecular Weight1672.11 g/mol
Exact Mass1670.69
IUPAC Name5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c21
InChIInChI=1S/C43H30N2.2C41H28N2/c1-43(2)38-22-11-10-21-36(38)41-39(43)40(44-42(45-41)27-13-4-3-5-14-27)30-16-12-15-28(25-30)29-23-24-35-33-19-7-6-17-31(33)32-18-8-9-20-34(32)37(35)26-29;1-41(2)35-23-20-27(28-21-22-33-30-17-10-9-16-29(30)32-19-11-18-31(28)36(32)33)24-34(35)39-37(41)38(25-12-5-3-6-13-25)42-40(43-39)26-14-7-4-8-15-26;1-41(2)35-18-9-8-15-34(35)39-37(41)38(42-40(43-39)27-11-4-3-5-12-27)26-21-19-25(20-22-26)28-23-24-33-30-14-7-6-13-29(30)32-17-10-16-31(28)36(32)33/h3-26H,1-2H3;2*3-24H,1-2H3
InChIKeyFMMZVFZJZLAVDQ-UHFFFAOYSA-N
XLogP32.41
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001672.11
LogP ≤ 532.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine with MolForge

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Related Compounds

2-[9,9-Difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 134271762
4-[6-(2,6-Dinaphthalen-2-ylpyrimidin-4-yl)-9,9-difluorofluoren-3-yl]-2,6-dinaphthalen-2-ylpyrimidine
CID 134271763
2-[6-(4,6-Dinaphthalen-1-ylpyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine
CID 134271764
4-[7-(2,6-Dinaphthalen-2-ylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-2,6-dinaphthalen-2-ylpyrimidine
CID 134271872
2-[9,9-Difluoro-7-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-2-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 134271874
2-[4-(9,9-Difluorofluoren-2-yl)naphthalen-1-yl]-4-[6-[7-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]naphthalen-2-yl]-6-naphthalen-2-ylpyrimidine
CID 134274448
4-[7-(2,6-Diphenylpyrimidin-4-yl)-9-fluoro-9-methylfluoren-2-yl]-2,6-diphenylpyrimidine
CID 135247148
2-[4-(9,9-Difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine
CID 135247158
2-[4-(9,9-Difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine
CID 135247174
2-(7H-benzo[7]annulen-3-yl)-4-[6-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-9,9-difluorofluoren-3-yl]-6-naphthalen-2-ylpyrimidine
CID 145277051
2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine
CID 145277067
4-[9,9-difluoro-4a-methyl-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4H-fluoren-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 145277068

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
The IUPAC name of 5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine (CID 158077160) is 5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine.
What is the SMILES notation for 5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
The canonical SMILES for 5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine is CC1(C)c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c21.
What is the InChIKey of 5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
The InChIKey is FMMZVFZJZLAVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2.2C41H28N2/c1-43(2)38-22-11-10-21-36(38)41-39(43)40(44-42(45-41)27-13-4-3-5-14-27)30-16-12-15-28(25-30)29-23-24-35-33-19-7-6-17-31(33)32-18-8-9-20-34(32)37(35)26-29;1-41(2)35-23-20-27(28-21-22-33-30-17-10-9-16-29(30)32-19-11-18-31(28)36(32)33)24-34(35)39-37(41)38(25-12-5-3-6-13-25)42-40(43-39)26-14-7-4-8-15-26;1-41(2)35-18-9-8-15-34(35)39-37(41)38(42-40(43-39)27-11-4-3-5-12-27)26-21-19-25(20-22-26)28-23-24-33-30-14-7-6-13-29(30)32-17-10-16-31(28)36(32)33/h3-26H,1-2H3;2*3-24H,1-2H3.
What are the key properties of 5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine has a molecular weight of 1672.11 g/mol, XLogP of 32.41, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-phenyl-4-(3-triphenylen-2-ylphenyl)indeno[1,2-d]pyrimidine;8-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine is sourced from PubChem (CID 158077160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).