11-[3-[4-[4-[4-[3-[6-(9,9-dimethylacridin-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,5-diphenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole

C109H72N10O — CID 163660088

About 11-[3-[4-[4-[4-[3-[6-(9,9-dimethylacridin-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,5-diphenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole

11-[3-[4-[4-[4-[3-[6-(9,9-dimethylacridin-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,5-diphenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 163660088) has the molecular formula C109H72N10O and a molecular weight of 1537.84 g/mol. Its IUPAC name is 11-[3-[4-[4-[4-[3-[6-(9,9-dimethylacridin-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,5-diphenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

• Compound Name: 11-[3-[4-[4-[4-[3-[6-(9,9-dimethylacridin-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,5-diphenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
• PubChem CID: 163660088
• Molecular Formula: C109H72N10O
• Molecular Weight: 1537.84 g/mol
• Exact Mass: 1536.59
• IUPAC Name: 11-[3-[4-[4-[4-[3-[6-(9,9-dimethylacridin-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,5-diphenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
• SMILES: CC1(C)c2ccccc2N(c2ncc(-c3cc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)cnc7-n7c8ccccc8c8cc9oc%10ccccc%10c9cc87)n6)cc5)cc4)c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc21
• InChI: InChI=1S/C109H72N10O/c1-109(2)93-43-23-26-46-96(93)119(97-47-27-24-44-94(97)109)108-92(106-114-101(75-35-15-6-16-36-75)112-102(115-106)76-37-17-7-18-38-76)64-86(68-111-108)84-61-81(71-33-13-5-14-34-71)58-82(62-84)74-51-49-72(50-52-74)73-53-55-78(56-54-73)104-113-103(77-39-19-8-20-40-77)116-105(117-104)91-63-85(83-59-79(69-29-9-3-10-30-69)57-80(60-83)70-31-11-4-12-32-70)67-110-107(91)118-95-45-25-21-41-87(95)89-66-100-90(65-98(89)118)88-42-22-28-48-99(88)120-100/h3-68H,1-2H3
• InChIKey: ITQOEYHVYKHCJT-UHFFFAOYSA-N
• XLogP: 27.62
• TPSA: 124.43 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1537.84
LogP ≤ 5	27.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 11-[3-[4-[4-[4-[3-[6-(9,9-dimethylacridin-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,5-diphenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole?

The IUPAC name of 11-[3-[4-[4-[4-[3-[6-(9,9-dimethylacridin-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,5-diphenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole (CID 163660088) is 11-[3-[4-[4-[4-[3-[6-(9,9-dimethylacridin-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,5-diphenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole.

What is the SMILES notation for 11-[3-[4-[4-[4-[3-[6-(9,9-dimethylacridin-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,5-diphenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole?

The canonical SMILES for 11-[3-[4-[4-[4-[3-[6-(9,9-dimethylacridin-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,5-diphenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole is CC1(C)c2ccccc2N(c2ncc(-c3cc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)cnc7-n7c8ccccc8c8cc9oc%10ccccc%10c9cc87)n6)cc5)cc4)c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc21.

What is the InChIKey of 11-[3-[4-[4-[4-[3-[6-(9,9-dimethylacridin-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,5-diphenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole?

The InChIKey is ITQOEYHVYKHCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H72N10O/c1-109(2)93-43-23-26-46-96(93)119(97-47-27-24-44-94(97)109)108-92(106-114-101(75-35-15-6-16-36-75)112-102(115-106)76-37-17-7-18-38-76)64-86(68-111-108)84-61-81(71-33-13-5-14-34-71)58-82(62-84)74-51-49-72(50-52-74)73-53-55-78(56-54-73)104-113-103(77-39-19-8-20-40-77)116-105(117-104)91-63-85(83-59-79(69-29-9-3-10-30-69)57-80(60-83)70-31-11-4-12-32-70)67-110-107(91)118-95-45-25-21-41-87(95)89-66-100-90(65-98(89)118)88-42-22-28-48-99(88)120-100/h3-68H,1-2H3.

What are the key properties of 11-[3-[4-[4-[4-[3-[6-(9,9-dimethylacridin-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,5-diphenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole?

11-[3-[4-[4-[4-[3-[6-(9,9-dimethylacridin-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,5-diphenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 1537.84 g/mol, XLogP of 27.62, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-[4-[4-[4-[3-[6-(9,9-dimethylacridin-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,5-diphenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 163660088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).