9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole

C117H89N7O2 — CID 155039402

About 9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole

9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole (PubChem CID 155039402) has the molecular formula C117H89N7O2 and a molecular weight of 1625.05 g/mol. Its IUPAC name is 9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole
• PubChem CID: 155039402
• Molecular Formula: C117H89N7O2
• Molecular Weight: 1625.05 g/mol
• Exact Mass: 1623.71
• IUPAC Name: 9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole
• SMILES: CC(C)(C)c1cc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccc%11c%12cc(-c%13ccc%14oc%15cccc(-c%16cccc(-c%17nc(-c%18ccccc%18)cc(-c%18ccccc%18)n%17)c%16)c%15c%14c%13)ccc%12n(-c%12ccc(C%13CCCCC%13)cc%12)c%11c%10)cc9)n8)c7)c6c5c4)ccc32)cc(C(C)(C)C)c1
• InChI: InChI=1S/C117H89N7O2/c1-116(2,3)88-68-89(117(4,5)6)70-91(69-88)124-102-40-20-19-37-94(102)96-63-79(51-58-104(96)124)81-52-59-106-98(65-81)111-93(39-24-42-109(111)126-106)85-34-22-36-87(62-85)115-121-112(77-31-17-10-18-32-77)120-113(122-115)78-45-43-74(44-46-78)83-49-56-95-97-64-80(50-57-103(97)123(105(95)67-83)90-54-47-73(48-55-90)72-25-11-7-12-26-72)82-53-60-107-99(66-82)110-92(38-23-41-108(110)125-107)84-33-21-35-86(61-84)114-118-100(75-27-13-8-14-28-75)71-101(119-114)76-29-15-9-16-30-76/h8-10,13-24,27-72H,7,11-12,25-26H2,1-6H3
• InChIKey: LMYKCHKRIQEGAR-UHFFFAOYSA-N
• XLogP: 31.63
• TPSA: 100.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1625.05
LogP ≤ 5	31.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole?

The IUPAC name of 9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole (CID 155039402) is 9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole.

What is the SMILES notation for 9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole?

The canonical SMILES for 9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole is CC(C)(C)c1cc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccc%11c%12cc(-c%13ccc%14oc%15cccc(-c%16cccc(-c%17nc(-c%18ccccc%18)cc(-c%18ccccc%18)n%17)c%16)c%15c%14c%13)ccc%12n(-c%12ccc(C%13CCCCC%13)cc%12)c%11c%10)cc9)n8)c7)c6c5c4)ccc32)cc(C(C)(C)C)c1.

What is the InChIKey of 9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole?

The InChIKey is LMYKCHKRIQEGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H89N7O2/c1-116(2,3)88-68-89(117(4,5)6)70-91(69-88)124-102-40-20-19-37-94(102)96-63-79(51-58-104(96)124)81-52-59-106-98(65-81)111-93(39-24-42-109(111)126-106)85-34-22-36-87(62-85)115-121-112(77-31-17-10-18-32-77)120-113(122-115)78-45-43-74(44-46-78)83-49-56-95-97-64-80(50-57-103(97)123(105(95)67-83)90-54-47-73(48-55-90)72-25-11-7-12-26-72)82-53-60-107-99(66-82)110-92(38-23-41-108(110)125-107)84-33-21-35-86(61-84)114-118-100(75-27-13-8-14-28-75)71-101(119-114)76-29-15-9-16-30-76/h8-10,13-24,27-72H,7,11-12,25-26H2,1-6H3.

What are the key properties of 9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole?

9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole has a molecular weight of 1625.05 g/mol, XLogP of 31.63, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-cyclohexylphenyl)-2-[4-[4-[3-[8-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 155039402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).