4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine

C144H101N9 — CID 161174872

IUPAC4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
SMILESCC1(C)c2cccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)nc5)n4)cc3)c2-c2c1ccc1ccccc21.CC1(C)c2cccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccccn6)cc5)n4)cc3)c2-c2ccc3ccccc3c21.c1ccc(-c2cc(-c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc1
InChIInChI=1S/C52H35N3.2C46H33N3/c1-4-13-39(14-5-1)48-35-49(55-51(54-48)41-29-23-36(24-30-41)37-31-33-53-34-32-37)40-27-25-38(26-28-40)44-20-12-22-47-50(44)45-19-10-11-21-46(45)52(47,42-15-6-2-7-16-42)43-17-8-3-9-18-43;1-46(2)38-19-11-18-37(43(38)44-36-17-10-9-12-30(36)24-26-39(44)46)31-20-22-34(23-21-31)42-28-41(33-15-7-4-8-16-33)48-45(49-42)35-25-27-40(47-29-35)32-13-5-3-6-14-32;1-46(2)39-16-10-15-36(43(39)38-27-26-30-11-6-7-14-37(30)44(38)46)31-18-20-34(21-19-31)42-29-41(32-12-4-3-5-13-32)48-45(49-42)35-24-22-33(23-25-35)40-17-8-9-28-47-40/h1-35H;2*3-29H,1-2H3
InChIKeyURQZQGCMYVICQX-UHFFFAOYSA-N
MW1957.45 g/mol
LogP35.90
Rot. Bonds17

About 4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine

4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine (PubChem CID 161174872) has the molecular formula C144H101N9 and a molecular weight of 1957.45 g/mol. Its IUPAC name is 4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
PubChem CID161174872
Molecular FormulaC144H101N9
Molecular Weight1957.45 g/mol
Exact Mass1955.82
IUPAC Name4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
SMILESCC1(C)c2cccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)nc5)n4)cc3)c2-c2c1ccc1ccccc21.CC1(C)c2cccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccccn6)cc5)n4)cc3)c2-c2ccc3ccccc3c21.c1ccc(-c2cc(-c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc1
InChIInChI=1S/C52H35N3.2C46H33N3/c1-4-13-39(14-5-1)48-35-49(55-51(54-48)41-29-23-36(24-30-41)37-31-33-53-34-32-37)40-27-25-38(26-28-40)44-20-12-22-47-50(44)45-19-10-11-21-46(45)52(47,42-15-6-2-7-16-42)43-17-8-3-9-18-43;1-46(2)38-19-11-18-37(43(38)44-36-17-10-9-12-30(36)24-26-39(44)46)31-20-22-34(23-21-31)42-28-41(33-15-7-4-8-16-33)48-45(49-42)35-25-27-40(47-29-35)32-13-5-3-6-14-32;1-46(2)39-16-10-15-36(43(39)38-27-26-30-11-6-7-14-37(30)44(38)46)31-18-20-34(21-19-31)42-29-41(32-12-4-3-5-13-32)48-45(49-42)35-24-22-33(23-25-35)40-17-8-9-28-47-40/h1-35H;2*3-29H,1-2H3
InChIKeyURQZQGCMYVICQX-UHFFFAOYSA-N
XLogP35.90
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001957.45
LogP ≤ 535.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine with MolForge

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Related Compounds

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;4-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
CID 162261187
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-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine
CID 159087399
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-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 146632009
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632037
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146633346
4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 162076322
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 160814646
4-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632151
2-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 157262568
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 146632096

Frequently Asked Questions

What is the IUPAC name of 4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine (CID 161174872) is 4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine is CC1(C)c2cccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)nc5)n4)cc3)c2-c2c1ccc1ccccc21.CC1(C)c2cccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccccn6)cc5)n4)cc3)c2-c2ccc3ccccc3c21.c1ccc(-c2cc(-c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc1.
What is the InChIKey of 4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine?
The InChIKey is URQZQGCMYVICQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3.2C46H33N3/c1-4-13-39(14-5-1)48-35-49(55-51(54-48)41-29-23-36(24-30-41)37-31-33-53-34-32-37)40-27-25-38(26-28-40)44-20-12-22-47-50(44)45-19-10-11-21-46(45)52(47,42-15-6-2-7-16-42)43-17-8-3-9-18-43;1-46(2)38-19-11-18-37(43(38)44-36-17-10-9-12-30(36)24-26-39(44)46)31-20-22-34(23-21-31)42-28-41(33-15-7-4-8-16-33)48-45(49-42)35-25-27-40(47-29-35)32-13-5-3-6-14-32;1-46(2)39-16-10-15-36(43(39)38-27-26-30-11-6-7-14-37(30)44(38)46)31-18-20-34(21-19-31)42-29-41(32-12-4-3-5-13-32)48-45(49-42)35-24-22-33(23-25-35)40-17-8-9-28-47-40/h1-35H;2*3-29H,1-2H3.
What are the key properties of 4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine?
4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine has a molecular weight of 1957.45 g/mol, XLogP of 35.90, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 161174872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).