2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine

C156H85N9OS2 — CID 155278947

About 2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine

2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine (PubChem CID 155278947) has the molecular formula C156H85N9OS2 and a molecular weight of 2165.59 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine
• PubChem CID: 155278947
• Molecular Formula: C156H85N9OS2
• Molecular Weight: 2165.59 g/mol
• Exact Mass: 2163.63
• IUPAC Name: 2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5cccc6cc(-c7ccc(-c8nc(-c9ccc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11%10c%11cccc%12ccc%13cccc%10c%13c%11%12)cc9)nc(-c9cccc%10c9sc9ccccc9%10)n8)cc7)c7cccc4c7c56)cc3)nc(-c3cc(-c4cccc(-c5nc(-c6ccc7c(c6)C6(c8ccccc8-7)c7cccc8ccc9cccc6c9c78)nc(-c6ccc7c(c6)oc6ccccc67)n5)c4)cc4c3sc3ccccc34)n2)cc1
• InChI: InChI=1S/C156H85N9OS2/c1-2-25-93(26-3-1)145-157-148(165-153(164-145)119-83-103(82-118-111-38-9-15-56-135(111)168-144(118)119)97-31-16-33-100(79-97)149-159-150(161-151(160-149)102-74-77-109-108-36-7-13-54-132(108)166-133(109)85-102)101-73-76-107-105-34-4-10-44-120(105)156(131(107)84-101)126-49-19-29-91-65-66-92-30-20-50-127(156)139(92)138(91)126)95-69-59-87(60-70-95)104-40-23-52-129-141(104)114-39-6-12-46-122(114)155(129)128-51-21-32-99-81-116(112-41-24-53-130(155)142(112)140(99)128)88-61-71-96(72-62-88)147-158-146(162-152(163-147)115-43-22-42-113-110-37-8-14-55-134(110)167-143(113)115)94-67-57-86(58-68-94)98-75-78-123-117(80-98)106-35-5-11-45-121(106)154(123)124-47-17-27-89-63-64-90-28-18-48-125(154)137(90)136(89)124/h1-85H
• InChIKey: ZTRDMXIQVTUGNN-UHFFFAOYSA-N
• XLogP: 39.50
• TPSA: 129.15 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2165.59
LogP ≤ 5	39.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine (CID 155278947) is 2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5cccc6cc(-c7ccc(-c8nc(-c9ccc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11%10c%11cccc%12ccc%13cccc%10c%13c%11%12)cc9)nc(-c9cccc%10c9sc9ccccc9%10)n8)cc7)c7cccc4c7c56)cc3)nc(-c3cc(-c4cccc(-c5nc(-c6ccc7c(c6)C6(c8ccccc8-7)c7cccc8ccc9cccc6c9c78)nc(-c6ccc7c(c6)oc6ccccc67)n5)c4)cc4c3sc3ccccc34)n2)cc1.

What is the InChIKey of 2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine?

The InChIKey is ZTRDMXIQVTUGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C156H85N9OS2/c1-2-25-93(26-3-1)145-157-148(165-153(164-145)119-83-103(82-118-111-38-9-15-56-135(111)168-144(118)119)97-31-16-33-100(79-97)149-159-150(161-151(160-149)102-74-77-109-108-36-7-13-54-132(108)166-133(109)85-102)101-73-76-107-105-34-4-10-44-120(105)156(131(107)84-101)126-49-19-29-91-65-66-92-30-20-50-127(156)139(92)138(91)126)95-69-59-87(60-70-95)104-40-23-52-129-141(104)114-39-6-12-46-122(114)155(129)128-51-21-32-99-81-116(112-41-24-53-130(155)142(112)140(99)128)88-61-71-96(72-62-88)147-158-146(162-152(163-147)115-43-22-42-113-110-37-8-14-55-134(110)167-143(113)115)94-67-57-86(58-68-94)98-75-78-123-117(80-98)106-35-5-11-45-121(106)154(123)124-47-17-27-89-63-64-90-28-18-48-125(154)137(90)136(89)124/h1-85H.

What are the key properties of 2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine?

2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine has a molecular weight of 2165.59 g/mol, XLogP of 39.50, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine is sourced from PubChem (CID 155278947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).