12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole

C114H68N10O2 — CID 155158786

About 12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole

12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole (PubChem CID 155158786) has the molecular formula C114H68N10O2 and a molecular weight of 1609.87 g/mol. Its IUPAC name is 12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole
• PubChem CID: 155158786
• Molecular Formula: C114H68N10O2
• Molecular Weight: 1609.87 g/mol
• Exact Mass: 1608.55
• IUPAC Name: 12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7cccc(-c8cccc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccc(-n%12c%13ccccc%13c%13c%12ccc%12c%14ccccc%14n(-c%14ccccc%14)c%12%13)c%12oc%13ccccc%13c%11%12)n%10)c9)c8)c7)c56)c5c4oc4ccccc45)n3)c2)cc1
• InChI: InChI=1S/C114H68N10O2/c1-5-29-69(30-6-1)72-35-26-40-77(66-72)112-116-110(71-33-9-3-10-34-71)118-114(120-112)90-60-63-97(104-88-50-18-24-56-100(88)125-107(90)104)123-93-53-21-15-47-85(93)102-95(123)61-57-84-82-46-14-20-52-92(82)122(106(84)102)80-44-28-39-76(68-80)74-37-25-36-73(65-74)75-38-27-41-78(67-75)111-115-109(70-31-7-2-8-32-70)117-113(119-111)89-59-64-98(108-101(89)87-49-17-23-55-99(87)126-108)124-94-54-22-16-48-86(94)103-96(124)62-58-83-81-45-13-19-51-91(81)121(105(83)103)79-42-11-4-12-43-79/h1-68H
• InChIKey: JXFOMCCEMVVBRE-UHFFFAOYSA-N
• XLogP: 29.25
• TPSA: 123.34 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1609.87
LogP ≤ 5	29.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole?

The IUPAC name of 12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole (CID 155158786) is 12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole.

What is the SMILES notation for 12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole?

The canonical SMILES for 12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7cccc(-c8cccc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccc(-n%12c%13ccccc%13c%13c%12ccc%12c%14ccccc%14n(-c%14ccccc%14)c%12%13)c%12oc%13ccccc%13c%11%12)n%10)c9)c8)c7)c56)c5c4oc4ccccc45)n3)c2)cc1.

What is the InChIKey of 12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole?

The InChIKey is JXFOMCCEMVVBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H68N10O2/c1-5-29-69(30-6-1)72-35-26-40-77(66-72)112-116-110(71-33-9-3-10-34-71)118-114(120-112)90-60-63-97(104-88-50-18-24-56-100(88)125-107(90)104)123-93-53-21-15-47-85(93)102-95(123)61-57-84-82-46-14-20-52-92(82)122(106(84)102)80-44-28-39-76(68-80)74-37-25-36-73(65-74)75-38-27-41-78(67-75)111-115-109(70-31-7-2-8-32-70)117-113(119-111)89-59-64-98(108-101(89)87-49-17-23-55-99(87)126-108)124-94-54-22-16-48-86(94)103-96(124)62-58-83-81-45-13-19-51-91(81)121(105(83)103)79-42-11-4-12-43-79/h1-68H.

What are the key properties of 12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole?

12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole has a molecular weight of 1609.87 g/mol, XLogP of 29.25, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 155158786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).