4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine

C92H66N6 — CID 162140385

IUPAC4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4cc(-c5cccnc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)ccc2-c2ccc3ccccc3c21.CC1(C)c2cc(-c3ccc(-c4cc(-c5ccncc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/2C46H33N3/c1-46(2)41-27-36(23-24-39(41)40-25-22-33-11-6-7-13-38(33)44(40)46)32-14-18-34(19-15-32)42-28-43(37-12-8-26-47-29-37)49-45(48-42)35-20-16-31(17-21-35)30-9-4-3-5-10-30;1-46(2)40-23-21-33-10-6-7-11-38(33)44(40)39-22-20-37(28-41(39)46)32-12-16-34(17-13-32)42-29-43(35-24-26-47-27-25-35)49-45(48-42)36-18-14-31(15-19-36)30-8-4-3-5-9-30/h2*3-29H,1-2H3
InChIKeyZJVSYCYURYYGGL-UHFFFAOYSA-N
MW1255.58 g/mol
LogP23.33
Rot. Bonds10

About 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine

4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine (PubChem CID 162140385) has the molecular formula C92H66N6 and a molecular weight of 1255.58 g/mol. Its IUPAC name is 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine
PubChem CID162140385
Molecular FormulaC92H66N6
Molecular Weight1255.58 g/mol
Exact Mass1254.53
IUPAC Name4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4cc(-c5cccnc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)ccc2-c2ccc3ccccc3c21.CC1(C)c2cc(-c3ccc(-c4cc(-c5ccncc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/2C46H33N3/c1-46(2)41-27-36(23-24-39(41)40-25-22-33-11-6-7-13-38(33)44(40)46)32-14-18-34(19-15-32)42-28-43(37-12-8-26-47-29-37)49-45(48-42)35-20-16-31(17-21-35)30-9-4-3-5-10-30;1-46(2)40-23-21-33-10-6-7-11-38(33)44(40)39-22-20-37(28-41(39)46)32-12-16-34(17-13-32)42-29-43(35-24-26-47-27-25-35)49-45(48-42)36-18-14-31(15-19-36)30-8-4-3-5-9-30/h2*3-29H,1-2H3
InChIKeyZJVSYCYURYYGGL-UHFFFAOYSA-N
XLogP23.33
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001255.58
LogP ≤ 523.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine with MolForge

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Related Compounds

4-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632085
4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 157173737
4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632850
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-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632843
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[3-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 161311326
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632378
4-[4-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 158894060
4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 160666449
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-pyridin-3-ylpyrimidine
CID 168777020
4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167344604
2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632852

Frequently Asked Questions

What is the IUPAC name of 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine?
The IUPAC name of 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine (CID 162140385) is 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine is CC1(C)c2cc(-c3ccc(-c4cc(-c5cccnc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)ccc2-c2ccc3ccccc3c21.CC1(C)c2cc(-c3ccc(-c4cc(-c5ccncc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine?
The InChIKey is ZJVSYCYURYYGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H33N3/c1-46(2)41-27-36(23-24-39(41)40-25-22-33-11-6-7-13-38(33)44(40)46)32-14-18-34(19-15-32)42-28-43(37-12-8-26-47-29-37)49-45(48-42)35-20-16-31(17-21-35)30-9-4-3-5-10-30;1-46(2)40-23-21-33-10-6-7-11-38(33)44(40)39-22-20-37(28-41(39)46)32-12-16-34(17-13-32)42-29-43(35-24-26-47-27-25-35)49-45(48-42)36-18-14-31(15-19-36)30-8-4-3-5-9-30/h2*3-29H,1-2H3.
What are the key properties of 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine?
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine has a molecular weight of 1255.58 g/mol, XLogP of 23.33, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine is sourced from PubChem (CID 162140385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).