1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine

C142H118F6N2 — CID 91079707

IUPAC1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine
SMILESCc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4ccccc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2C)cc1-c1ccccc1.Cc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4ccccc4)c(C)cc3C)cc2-c2ccccc2C)cc1-c1ccccc1.Cc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4cccnc4)c(C)cc3C)cc2-c2ccccc2C)cc1-c1cccnc1
InChIInChI=1S/C48H36F6.C48H42.C46H40N2/c1-29-15-11-13-21-35(29)40-27-43(44-25-39(34-19-9-6-10-20-34)45(47(49,50)51)28-46(44)48(52,53)54)41(36-22-14-12-16-30(36)2)26-42(40)38-24-37(31(3)23-32(38)4)33-17-7-5-8-18-33;1-31-17-13-15-23-39(31)45-29-48(44-28-42(34(4)26-36(44)6)38-21-11-8-12-22-38)46(40-24-16-14-18-32(40)2)30-47(45)43-27-41(33(3)25-35(43)5)37-19-9-7-10-20-37;1-29-13-7-9-17-37(29)43-25-46(42-24-40(32(4)22-34(42)6)36-16-12-20-48-28-36)44(38-18-10-8-14-30(38)2)26-45(43)41-23-39(31(3)21-33(41)5)35-15-11-19-47-27-35/h5-28H,1-4H3;7-30H,1-6H3;7-28H,1-6H3
InChIKeyHOOICGSTPUCISH-UHFFFAOYSA-N
MW1966.51 g/mol
LogP40.83
Rot. Bonds18

About 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine

1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine (PubChem CID 91079707) has the molecular formula C142H118F6N2 and a molecular weight of 1966.51 g/mol. Its IUPAC name is 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine.

Molecular Properties

Compound Name1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine
PubChem CID91079707
Molecular FormulaC142H118F6N2
Molecular Weight1966.51 g/mol
Exact Mass1964.92
IUPAC Name1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine
SMILESCc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4ccccc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2C)cc1-c1ccccc1.Cc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4ccccc4)c(C)cc3C)cc2-c2ccccc2C)cc1-c1ccccc1.Cc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4cccnc4)c(C)cc3C)cc2-c2ccccc2C)cc1-c1cccnc1
InChIInChI=1S/C48H36F6.C48H42.C46H40N2/c1-29-15-11-13-21-35(29)40-27-43(44-25-39(34-19-9-6-10-20-34)45(47(49,50)51)28-46(44)48(52,53)54)41(36-22-14-12-16-30(36)2)26-42(40)38-24-37(31(3)23-32(38)4)33-17-7-5-8-18-33;1-31-17-13-15-23-39(31)45-29-48(44-28-42(34(4)26-36(44)6)38-21-11-8-12-22-38)46(40-24-16-14-18-32(40)2)30-47(45)43-27-41(33(3)25-35(43)5)37-19-9-7-10-20-37;1-29-13-7-9-17-37(29)43-25-46(42-24-40(32(4)22-34(42)6)36-16-12-20-48-28-36)44(38-18-10-8-14-30(38)2)26-45(43)41-23-39(31(3)21-33(41)5)35-15-11-19-47-27-35/h5-28H,1-4H3;7-30H,1-6H3;7-28H,1-6H3
InChIKeyHOOICGSTPUCISH-UHFFFAOYSA-N
XLogP40.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001966.51
LogP ≤ 540.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine?
The IUPAC name of 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine (CID 91079707) is 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine.
What is the SMILES notation for 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine?
The canonical SMILES for 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine is Cc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4ccccc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2C)cc1-c1ccccc1.Cc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4ccccc4)c(C)cc3C)cc2-c2ccccc2C)cc1-c1ccccc1.Cc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4cccnc4)c(C)cc3C)cc2-c2ccccc2C)cc1-c1cccnc1.
What is the InChIKey of 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine?
The InChIKey is HOOICGSTPUCISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36F6.C48H42.C46H40N2/c1-29-15-11-13-21-35(29)40-27-43(44-25-39(34-19-9-6-10-20-34)45(47(49,50)51)28-46(44)48(52,53)54)41(36-22-14-12-16-30(36)2)26-42(40)38-24-37(31(3)23-32(38)4)33-17-7-5-8-18-33;1-31-17-13-15-23-39(31)45-29-48(44-28-42(34(4)26-36(44)6)38-21-11-8-12-22-38)46(40-24-16-14-18-32(40)2)30-47(45)43-27-41(33(3)25-35(43)5)37-19-9-7-10-20-37;1-29-13-7-9-17-37(29)43-25-46(42-24-40(32(4)22-34(42)6)36-16-12-20-48-28-36)44(38-18-10-8-14-30(38)2)26-45(43)41-23-39(31(3)21-33(41)5)35-15-11-19-47-27-35/h5-28H,1-4H3;7-30H,1-6H3;7-28H,1-6H3.
What are the key properties of 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine?
1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine has a molecular weight of 1966.51 g/mol, XLogP of 40.83, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene;1-[2,5-bis(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethyl-5-phenylbenzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis(2-methylphenyl)phenyl]-2,4-dimethylphenyl]pyridine is sourced from PubChem (CID 91079707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).