9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole

C99H58N4O3 — CID 126632417

About 9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole

9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole (PubChem CID 126632417) has the molecular formula C99H58N4O3 and a molecular weight of 1351.58 g/mol. Its IUPAC name is 9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole.

Molecular Properties

• Compound Name: 9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole
• PubChem CID: 126632417
• Molecular Formula: C99H58N4O3
• Molecular Weight: 1351.58 g/mol
• Exact Mass: 1350.45
• IUPAC Name: 9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole
• SMILES: c1cc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)c3)c3c(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)ccnc3c2)cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1
• InChI: InChI=1S/C99H58N4O3/c1-7-28-87-73(22-1)80-51-60(63-37-43-96-83(54-63)76-25-4-10-31-93(76)104-96)34-40-90(80)101(87)69-19-13-16-59(48-69)68-57-79(67-18-15-21-71(50-67)103-89-30-9-3-24-75(89)82-53-62(36-42-92(82)103)65-39-45-98-85(56-65)78-27-6-12-33-95(78)106-98)99-72(46-47-100-86(99)58-68)66-17-14-20-70(49-66)102-88-29-8-2-23-74(88)81-52-61(35-41-91(81)102)64-38-44-97-84(55-64)77-26-5-11-32-94(77)105-97/h1-58H
• InChIKey: VOPVJXOJFVUWHX-UHFFFAOYSA-N
• XLogP: 27.23
• TPSA: 67.10 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1351.58
LogP ≤ 5	27.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole?

The IUPAC name of 9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole (CID 126632417) is 9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole.

What is the SMILES notation for 9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole?

The canonical SMILES for 9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole is c1cc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)c3)c3c(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)ccnc3c2)cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1.

What is the InChIKey of 9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole?

The InChIKey is VOPVJXOJFVUWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H58N4O3/c1-7-28-87-73(22-1)80-51-60(63-37-43-96-83(54-63)76-25-4-10-31-93(76)104-96)34-40-90(80)101(87)69-19-13-16-59(48-69)68-57-79(67-18-15-21-71(50-67)103-89-30-9-3-24-75(89)82-53-62(36-42-92(82)103)65-39-45-98-85(56-65)78-27-6-12-33-95(78)106-98)99-72(46-47-100-86(99)58-68)66-17-14-20-70(49-66)102-88-29-8-2-23-74(88)81-52-61(35-41-91(81)102)64-38-44-97-84(55-64)77-26-5-11-32-94(77)105-97/h1-58H.

What are the key properties of 9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole?

9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole has a molecular weight of 1351.58 g/mol, XLogP of 27.23, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole is sourced from PubChem (CID 126632417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).