9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole

C109H68F6N10 — CID 137414809

IUPAC9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESCc1cc(-c2c(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)nc2-c2ccccc2)ccc1-c1ccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C109H68F6N10/c1-67-58-79(47-52-82(67)76-46-53-84-83-44-26-27-45-95(83)125(100(84)61-76)99-55-49-77(93-65-89(68-28-10-2-11-29-68)116-104(118-93)74-40-22-8-23-41-74)59-87(99)106-120-91(70-32-14-4-15-33-70)64-92(121-106)71-34-16-5-17-35-71)101-102(72-36-18-6-19-37-72)122-107(123-103(101)73-38-20-7-21-39-73)88-60-78(94-66-90(69-30-12-3-13-31-69)117-105(119-94)75-42-24-9-25-43-75)48-54-98(88)124-96-56-50-80(108(110,111)112)62-85(96)86-63-81(109(113,114)115)51-57-97(86)124/h2-66H,1H3
InChIKeyCQACIXADGWDSHP-UHFFFAOYSA-N
MW1631.80 g/mol
LogP28.72
Rot. Bonds16

About 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole

9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 137414809) has the molecular formula C109H68F6N10 and a molecular weight of 1631.80 g/mol. Its IUPAC name is 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole
PubChem CID137414809
Molecular FormulaC109H68F6N10
Molecular Weight1631.80 g/mol
Exact Mass1630.55
IUPAC Name9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESCc1cc(-c2c(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)nc2-c2ccccc2)ccc1-c1ccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C109H68F6N10/c1-67-58-79(47-52-82(67)76-46-53-84-83-44-26-27-45-95(83)125(100(84)61-76)99-55-49-77(93-65-89(68-28-10-2-11-29-68)116-104(118-93)74-40-22-8-23-41-74)59-87(99)106-120-91(70-32-14-4-15-33-70)64-92(121-106)71-34-16-5-17-35-71)101-102(72-36-18-6-19-37-72)122-107(123-103(101)73-38-20-7-21-39-73)88-60-78(94-66-90(69-30-12-3-13-31-69)117-105(119-94)75-42-24-9-25-43-75)48-54-98(88)124-96-56-50-80(108(110,111)112)62-85(96)86-63-81(109(113,114)115)51-57-97(86)124/h2-66H,1H3
InChIKeyCQACIXADGWDSHP-UHFFFAOYSA-N
XLogP28.72
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001631.80
LogP ≤ 528.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole (CID 137414809) is 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole is Cc1cc(-c2c(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)nc2-c2ccccc2)ccc1-c1ccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole?
The InChIKey is CQACIXADGWDSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H68F6N10/c1-67-58-79(47-52-82(67)76-46-53-84-83-44-26-27-45-95(83)125(100(84)61-76)99-55-49-77(93-65-89(68-28-10-2-11-29-68)116-104(118-93)74-40-22-8-23-41-74)59-87(99)106-120-91(70-32-14-4-15-33-70)64-92(121-106)71-34-16-5-17-35-71)101-102(72-36-18-6-19-37-72)122-107(123-103(101)73-38-20-7-21-39-73)88-60-78(94-66-90(69-30-12-3-13-31-69)117-105(119-94)75-42-24-9-25-43-75)48-54-98(88)124-96-56-50-80(108(110,111)112)62-85(96)86-63-81(109(113,114)115)51-57-97(86)124/h2-66H,1H3.
What are the key properties of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole?
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 1631.80 g/mol, XLogP of 28.72, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[5-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]phenyl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 137414809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).