10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]

C117H73N7O — CID 167177382

About 10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]

10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 167177382) has the molecular formula C117H73N7O and a molecular weight of 1592.92 g/mol. Its IUPAC name is 10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]
• PubChem CID: 167177382
• Molecular Formula: C117H73N7O
• Molecular Weight: 1592.92 g/mol
• Exact Mass: 1591.59
• IUPAC Name: 10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccc(-c4cccc5c4oc4ccc(-c6ccnc(-c7nc(-c8ccccc8)cc(-c8ccc(-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10N(c%10ccccc%10)c%10ccccc%109)cc8)n7)c6)cc45)cc3)n2)cc1
• InChI: InChI=1S/C117H73N7O/c1-5-27-77(28-6-1)102-72-104(79-57-51-74(52-58-79)83-63-65-100-110(71-83)124(86-33-11-4-12-34-86)109-50-24-19-44-97(109)116(100)94-41-16-13-35-89(94)90-36-14-17-42-95(90)116)120-114(119-102)81-61-55-76(56-62-81)88-39-25-40-91-93-69-82(64-66-111(93)125-113(88)91)84-67-68-118-106(70-84)115-121-103(78-29-7-2-8-30-78)73-105(122-115)80-59-53-75(54-60-80)87-38-26-47-101-112(87)92-37-15-18-43-96(92)117(101)98-45-20-22-48-107(98)123(85-31-9-3-10-32-85)108-49-23-21-46-99(108)117/h1-73H
• InChIKey: JVAURKDVAZTSRF-UHFFFAOYSA-N
• XLogP: 29.52
• TPSA: 84.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1592.92
LogP ≤ 5	29.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]?

The IUPAC name of 10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene] (CID 167177382) is 10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene].

What is the SMILES notation for 10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]?

The canonical SMILES for 10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene] is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccc(-c4cccc5c4oc4ccc(-c6ccnc(-c7nc(-c8ccccc8)cc(-c8ccc(-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10N(c%10ccccc%10)c%10ccccc%109)cc8)n7)c6)cc45)cc3)n2)cc1.

What is the InChIKey of 10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]?

The InChIKey is JVAURKDVAZTSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H73N7O/c1-5-27-77(28-6-1)102-72-104(79-57-51-74(52-58-79)83-63-65-100-110(71-83)124(86-33-11-4-12-34-86)109-50-24-19-44-97(109)116(100)94-41-16-13-35-89(94)90-36-14-17-42-95(90)116)120-114(119-102)81-61-55-76(56-62-81)88-39-25-40-91-93-69-82(64-66-111(93)125-113(88)91)84-67-68-118-106(70-84)115-121-103(78-29-7-2-8-30-78)73-105(122-115)80-59-53-75(54-60-80)87-38-26-47-101-112(87)92-37-15-18-43-96(92)117(101)98-45-20-22-48-107(98)123(85-31-9-3-10-32-85)108-49-23-21-46-99(108)117/h1-73H.

What are the key properties of 10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]?

10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 1592.92 g/mol, XLogP of 29.52, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 167177382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).