3-(5-phenyl-3-pyridinyl)-9-[3-[6-[2-[4-[4-pyridin-3-yl-3-[8-[2-[8-(2-pyridin-3-ylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]carbazole

C104H68N6O2 — CID 163655867

About 3-(5-phenyl-3-pyridinyl)-9-[3-[6-[2-[4-[4-pyridin-3-yl-3-[8-[2-[8-(2-pyridin-3-ylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]carbazole

3-(5-phenyl-3-pyridinyl)-9-[3-[6-[2-[4-[4-pyridin-3-yl-3-[8-[2-[8-(2-pyridin-3-ylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]carbazole (PubChem CID 163655867) has the molecular formula C104H68N6O2 and a molecular weight of 1433.73 g/mol. Its IUPAC name is 3-(5-phenyl-3-pyridinyl)-9-[3-[6-[2-[4-[4-pyridin-3-yl-3-[8-[2-[8-(2-pyridin-3-ylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(5-phenyl-3-pyridinyl)-9-[3-[6-[2-[4-[4-pyridin-3-yl-3-[8-[2-[8-(2-pyridin-3-ylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]carbazole
• PubChem CID: 163655867
• Molecular Formula: C104H68N6O2
• Molecular Weight: 1433.73 g/mol
• Exact Mass: 1432.54
• IUPAC Name: 3-(5-phenyl-3-pyridinyl)-9-[3-[6-[2-[4-[4-pyridin-3-yl-3-[8-[2-[8-(2-pyridin-3-ylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]carbazole
• SMILES: C1=Cc2c(n(-c3cccc(-n4c5ccccc5c5cc(-c6cncc(-c7ccccc7)c6)ccc54)c3)c3ccc(-c4ccccc4-c4cc(C5=CC(c6ccc7oc8ccc(-c9ccccc9-c9ccc%10oc%11ccc(-c%12ccccc%12-c%12cccnc%12)cc%11c%10c9)cc8c7c6)C(c6cccnc6)C=C5)ccn4)cc23)CC1
• InChI: InChI=1S/C104H68N6O2/c1-2-17-65(18-3-1)76-51-77(64-107-63-76)67-34-41-99-90(53-67)87-29-10-12-31-97(87)109(99)78-21-14-22-79(60-78)110-98-32-13-11-30-88(98)91-54-69(35-42-100(91)110)83-26-8-9-28-86(83)96-59-68(47-50-108-96)66-33-40-85(75-20-16-49-106-62-75)89(52-66)73-39-46-104-95(58-73)94-56-71(37-44-103(94)112-104)81-24-5-4-23-80(81)70-36-43-101-92(55-70)93-57-72(38-45-102(93)111-101)82-25-6-7-27-84(82)74-19-15-48-105-61-74/h1-12,14-31,33-64,85,89H,13,32H2
• InChIKey: IQDOQXJAFAXCFR-UHFFFAOYSA-N
• XLogP: 26.92
• TPSA: 87.70 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1433.73
LogP ≤ 5	26.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-3-pyridinyl)-9-[3-[6-[2-[4-[4-pyridin-3-yl-3-[8-[2-[8-(2-pyridin-3-ylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]carbazole?

The IUPAC name of 3-(5-phenyl-3-pyridinyl)-9-[3-[6-[2-[4-[4-pyridin-3-yl-3-[8-[2-[8-(2-pyridin-3-ylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]carbazole (CID 163655867) is 3-(5-phenyl-3-pyridinyl)-9-[3-[6-[2-[4-[4-pyridin-3-yl-3-[8-[2-[8-(2-pyridin-3-ylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]carbazole.

What is the SMILES notation for 3-(5-phenyl-3-pyridinyl)-9-[3-[6-[2-[4-[4-pyridin-3-yl-3-[8-[2-[8-(2-pyridin-3-ylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]carbazole?

The canonical SMILES for 3-(5-phenyl-3-pyridinyl)-9-[3-[6-[2-[4-[4-pyridin-3-yl-3-[8-[2-[8-(2-pyridin-3-ylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]carbazole is C1=Cc2c(n(-c3cccc(-n4c5ccccc5c5cc(-c6cncc(-c7ccccc7)c6)ccc54)c3)c3ccc(-c4ccccc4-c4cc(C5=CC(c6ccc7oc8ccc(-c9ccccc9-c9ccc%10oc%11ccc(-c%12ccccc%12-c%12cccnc%12)cc%11c%10c9)cc8c7c6)C(c6cccnc6)C=C5)ccn4)cc23)CC1.

What is the InChIKey of 3-(5-phenyl-3-pyridinyl)-9-[3-[6-[2-[4-[4-pyridin-3-yl-3-[8-[2-[8-(2-pyridin-3-ylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]carbazole?

The InChIKey is IQDOQXJAFAXCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H68N6O2/c1-2-17-65(18-3-1)76-51-77(64-107-63-76)67-34-41-99-90(53-67)87-29-10-12-31-97(87)109(99)78-21-14-22-79(60-78)110-98-32-13-11-30-88(98)91-54-69(35-42-100(91)110)83-26-8-9-28-86(83)96-59-68(47-50-108-96)66-33-40-85(75-20-16-49-106-62-75)89(52-66)73-39-46-104-95(58-73)94-56-71(37-44-103(94)112-104)81-24-5-4-23-80(81)70-36-43-101-92(55-70)93-57-72(38-45-102(93)111-101)82-25-6-7-27-84(82)74-19-15-48-105-61-74/h1-12,14-31,33-64,85,89H,13,32H2.

What are the key properties of 3-(5-phenyl-3-pyridinyl)-9-[3-[6-[2-[4-[4-pyridin-3-yl-3-[8-[2-[8-(2-pyridin-3-ylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]carbazole?

3-(5-phenyl-3-pyridinyl)-9-[3-[6-[2-[4-[4-pyridin-3-yl-3-[8-[2-[8-(2-pyridin-3-ylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]carbazole has a molecular weight of 1433.73 g/mol, XLogP of 26.92, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-phenyl-3-pyridinyl)-9-[3-[6-[2-[4-[4-pyridin-3-yl-3-[8-[2-[8-(2-pyridin-3-ylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]carbazole is sourced from PubChem (CID 163655867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).