3'-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-[4-[2-[2-(1,2-dihydropyridin-6-yl)-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]

C117H76N8 — CID 146494815

About 3'-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-[4-[2-[2-(1,2-dihydropyridin-6-yl)-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]

3'-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-[4-[2-[2-(1,2-dihydropyridin-6-yl)-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 146494815) has the molecular formula C117H76N8 and a molecular weight of 1593.95 g/mol. Its IUPAC name is 3'-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-[4-[2-[2-(1,2-dihydropyridin-6-yl)-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 3'-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-[4-[2-[2-(1,2-dihydropyridin-6-yl)-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
• PubChem CID: 146494815
• Molecular Formula: C117H76N8
• Molecular Weight: 1593.95 g/mol
• Exact Mass: 1592.62
• IUPAC Name: 3'-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-[4-[2-[2-(1,2-dihydropyridin-6-yl)-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
• SMILES: C1=CCNC(c2nc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5N(c5ccccc5)c5ccccc54)cc3)cc(-c3ccccc3-c3ccc(N4c5ccccc5C5(c6ccccc6-c6cc(-c7ccc(-c8cc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)nc(-c9ccccc9)n8)cc7)ccc65)c5ccccc54)cc3)n2)=C1
• InChI: InChI=1S/C117H76N8/c1-3-28-81(29-4-1)114-119-103(73-104(120-114)80-63-68-84(69-64-80)123-107-47-19-11-35-90(107)91-36-12-20-48-108(91)123)78-57-53-75(54-58-78)82-65-70-96-93(72-82)88-33-9-13-39-94(88)116(96)97-41-15-21-49-109(97)125(110-50-22-16-42-98(110)116)85-66-61-76(62-67-85)86-32-7-8-34-89(86)106-74-105(121-115(122-106)102-46-25-26-71-118-102)79-59-55-77(56-60-79)87-38-27-45-101-113(87)92-37-10-14-40-95(92)117(101)99-43-17-23-51-111(99)124(83-30-5-2-6-31-83)112-52-24-18-44-100(112)117/h1-70,72-74,118H,71H2
• InChIKey: PMRBDHXODNNVGM-UHFFFAOYSA-N
• XLogP: 28.49
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1593.95
LogP ≤ 5	28.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3'-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-[4-[2-[2-(1,2-dihydropyridin-6-yl)-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

The IUPAC name of 3'-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-[4-[2-[2-(1,2-dihydropyridin-6-yl)-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] (CID 146494815) is 3'-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-[4-[2-[2-(1,2-dihydropyridin-6-yl)-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene].

What is the SMILES notation for 3'-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-[4-[2-[2-(1,2-dihydropyridin-6-yl)-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

The canonical SMILES for 3'-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-[4-[2-[2-(1,2-dihydropyridin-6-yl)-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] is C1=CCNC(c2nc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5N(c5ccccc5)c5ccccc54)cc3)cc(-c3ccccc3-c3ccc(N4c5ccccc5C5(c6ccccc6-c6cc(-c7ccc(-c8cc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)nc(-c9ccccc9)n8)cc7)ccc65)c5ccccc54)cc3)n2)=C1.

What is the InChIKey of 3'-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-[4-[2-[2-(1,2-dihydropyridin-6-yl)-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

The InChIKey is PMRBDHXODNNVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H76N8/c1-3-28-81(29-4-1)114-119-103(73-104(120-114)80-63-68-84(69-64-80)123-107-47-19-11-35-90(107)91-36-12-20-48-108(91)123)78-57-53-75(54-58-78)82-65-70-96-93(72-82)88-33-9-13-39-94(88)116(96)97-41-15-21-49-109(97)125(110-50-22-16-42-98(110)116)85-66-61-76(62-67-85)86-32-7-8-34-89(86)106-74-105(121-115(122-106)102-46-25-26-71-118-102)79-59-55-77(56-60-79)87-38-27-45-101-113(87)92-37-10-14-40-95(92)117(101)99-43-17-23-51-111(99)124(83-30-5-2-6-31-83)112-52-24-18-44-100(112)117/h1-70,72-74,118H,71H2.

What are the key properties of 3'-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-[4-[2-[2-(1,2-dihydropyridin-6-yl)-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

3'-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-[4-[2-[2-(1,2-dihydropyridin-6-yl)-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 1593.95 g/mol, XLogP of 28.49, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-[4-[2-[2-(1,2-dihydropyridin-6-yl)-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 146494815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).