9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole

C74H49N3 — CID 58793223

About 9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole

9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole (PubChem CID 58793223) has the molecular formula C74H49N3 and a molecular weight of 980.23 g/mol. Its IUPAC name is 9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole
• PubChem CID: 58793223
• Molecular Formula: C74H49N3
• Molecular Weight: 980.23 g/mol
• Exact Mass: 979.39
• IUPAC Name: 9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc3c(c2)CC2(C3)c3cc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)ccc3-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc32)nc1
• InChI: InChI=1S/C74H49N3/c1-5-16-70-63(11-1)64-12-2-6-17-71(64)76(70)59-36-30-50(31-37-59)48-20-24-52(25-21-48)54-34-40-61-62-41-35-55(45-68(62)74(67(61)44-54)46-57-29-28-56(43-58(57)47-74)69-15-9-10-42-75-69)53-26-22-49(23-27-53)51-32-38-60(39-33-51)77-72-18-7-3-13-65(72)66-14-4-8-19-73(66)77/h1-45H,46-47H2
• InChIKey: OZSXJCGTVHWOLP-UHFFFAOYSA-N
• XLogP: 18.68
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	980.23
LogP ≤ 5	18.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole?

The IUPAC name of 9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole (CID 58793223) is 9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole.

What is the SMILES notation for 9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole?

The canonical SMILES for 9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole is c1ccc(-c2ccc3c(c2)CC2(C3)c3cc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)ccc3-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc32)nc1.

What is the InChIKey of 9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole?

The InChIKey is OZSXJCGTVHWOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H49N3/c1-5-16-70-63(11-1)64-12-2-6-17-71(64)76(70)59-36-30-50(31-37-59)48-20-24-52(25-21-48)54-34-40-61-62-41-35-55(45-68(62)74(67(61)44-54)46-57-29-28-56(43-58(57)47-74)69-15-9-10-42-75-69)53-26-22-49(23-27-53)51-32-38-60(39-33-51)77-72-18-7-3-13-65(72)66-14-4-8-19-73(66)77/h1-45H,46-47H2.

What are the key properties of 9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole?

9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole has a molecular weight of 980.23 g/mol, XLogP of 18.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 58793223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).