2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine

C145H104N6 — CID 159171416

IUPAC2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2cc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)ccc2-c2ccc3ccccc3c21.CC1(C)c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)ccc2-c2c1c1ccccc1c1ccccc21.CC1(C)c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C51H36N2.2C47H34N2/c1-51(2)45-31-38(27-28-44(45)48-42-25-11-9-23-40(42)41-24-10-12-26-43(41)49(48)51)36-20-13-19-35(29-36)37-21-14-22-39(30-37)50-52-46(33-15-5-3-6-16-33)32-47(53-50)34-17-7-4-8-18-34;1-47(2)42-29-37(24-25-40(42)41-26-23-31-13-9-10-22-39(31)45(41)47)35-19-11-18-34(27-35)36-20-12-21-38(28-36)44-30-43(32-14-5-3-6-15-32)48-46(49-44)33-16-7-4-8-17-33;1-47(2)42-29-37(24-25-40(42)41-26-23-31-13-9-10-22-39(31)45(41)47)35-19-11-18-34(27-35)36-20-12-21-38(28-36)46-48-43(32-14-5-3-6-15-32)30-44(49-46)33-16-7-4-8-17-33/h3-32H,1-2H3;2*3-30H,1-2H3
InChIKeyKLSSZOQMVVSUPM-UHFFFAOYSA-N
MW1930.47 g/mol
LogP37.97
Rot. Bonds15

About 2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine

2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine (PubChem CID 159171416) has the molecular formula C145H104N6 and a molecular weight of 1930.47 g/mol. Its IUPAC name is 2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine
PubChem CID159171416
Molecular FormulaC145H104N6
Molecular Weight1930.47 g/mol
Exact Mass1928.83
IUPAC Name2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2cc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)ccc2-c2ccc3ccccc3c21.CC1(C)c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)ccc2-c2c1c1ccccc1c1ccccc21.CC1(C)c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C51H36N2.2C47H34N2/c1-51(2)45-31-38(27-28-44(45)48-42-25-11-9-23-40(42)41-24-10-12-26-43(41)49(48)51)36-20-13-19-35(29-36)37-21-14-22-39(30-37)50-52-46(33-15-5-3-6-16-33)32-47(53-50)34-17-7-4-8-18-34;1-47(2)42-29-37(24-25-40(42)41-26-23-31-13-9-10-22-39(31)45(41)47)35-19-11-18-34(27-35)36-20-12-21-38(28-36)44-30-43(32-14-5-3-6-15-32)48-46(49-44)33-16-7-4-8-17-33;1-47(2)42-29-37(24-25-40(42)41-26-23-31-13-9-10-22-39(31)45(41)47)35-19-11-18-34(27-35)36-20-12-21-38(28-36)46-48-43(32-14-5-3-6-15-32)30-44(49-46)33-16-7-4-8-17-33/h3-32H,1-2H3;2*3-30H,1-2H3
InChIKeyKLSSZOQMVVSUPM-UHFFFAOYSA-N
XLogP37.97
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001930.47
LogP ≤ 537.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine with MolForge

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Related Compounds

4-[3-[3-(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)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272149
4-(11,11-dimethylbenzo[a]fluoren-9-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 146632846
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158392620
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168776957
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632378
4-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121431110
4-[4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168779475
2-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 159773726
2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4,6-diphenylpyrimidine
CID 170410073
2-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168779094
4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167344604
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine
CID 171583538

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine (CID 159171416) is 2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine is CC1(C)c2cc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)ccc2-c2ccc3ccccc3c21.CC1(C)c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)ccc2-c2c1c1ccccc1c1ccccc21.CC1(C)c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)ccc2-c2ccc3ccccc3c21.
What is the InChIKey of 2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine?
The InChIKey is KLSSZOQMVVSUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2.2C47H34N2/c1-51(2)45-31-38(27-28-44(45)48-42-25-11-9-23-40(42)41-24-10-12-26-43(41)49(48)51)36-20-13-19-35(29-36)37-21-14-22-39(30-37)50-52-46(33-15-5-3-6-16-33)32-47(53-50)34-17-7-4-8-18-34;1-47(2)42-29-37(24-25-40(42)41-26-23-31-13-9-10-22-39(31)45(41)47)35-19-11-18-34(27-35)36-20-12-21-38(28-36)44-30-43(32-14-5-3-6-15-32)48-46(49-44)33-16-7-4-8-17-33;1-47(2)42-29-37(24-25-40(42)41-26-23-31-13-9-10-22-39(31)45(41)47)35-19-11-18-34(27-35)36-20-12-21-38(28-36)46-48-43(32-14-5-3-6-15-32)30-44(49-46)33-16-7-4-8-17-33/h3-32H,1-2H3;2*3-30H,1-2H3.
What are the key properties of 2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine?
2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine has a molecular weight of 1930.47 g/mol, XLogP of 37.97, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 159171416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).