9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole

C75H52N2 — CID 58883531

About 9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole

9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole (PubChem CID 58883531) has the molecular formula C75H52N2 and a molecular weight of 981.26 g/mol. Its IUPAC name is 9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole
• PubChem CID: 58883531
• Molecular Formula: C75H52N2
• Molecular Weight: 981.26 g/mol
• Exact Mass: 980.41
• IUPAC Name: 9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3Cc2cccc(C3(c4cccc(Cn5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c4)c4ccccc4-c4ccccc43)c2)cc1
• InChI: InChI=1S/C75H52N2/c1-5-21-53(22-6-1)57-35-39-71-65(45-57)66-46-58(54-23-7-2-8-24-54)36-40-72(66)76(71)49-51-19-17-29-61(43-51)75(69-33-15-13-31-63(69)64-32-14-16-34-70(64)75)62-30-18-20-52(44-62)50-77-73-41-37-59(55-25-9-3-10-26-55)47-67(73)68-48-60(38-42-74(68)77)56-27-11-4-12-28-56/h1-48H,49-50H2
• InChIKey: HLULKUFLXGXEEA-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	981.26
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole?

The IUPAC name of 9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole (CID 58883531) is 9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole.

What is the SMILES notation for 9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole?

The canonical SMILES for 9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3Cc2cccc(C3(c4cccc(Cn5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c4)c4ccccc4-c4ccccc43)c2)cc1.

What is the InChIKey of 9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole?

The InChIKey is HLULKUFLXGXEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52N2/c1-5-21-53(22-6-1)57-35-39-71-65(45-57)66-46-58(54-23-7-2-8-24-54)36-40-72(66)76(71)49-51-19-17-29-61(43-51)75(69-33-15-13-31-63(69)64-32-14-16-34-70(64)75)62-30-18-20-52(44-62)50-77-73-41-37-59(55-25-9-3-10-26-55)47-67(73)68-48-60(38-42-74(68)77)56-27-11-4-12-28-56/h1-48H,49-50H2.

What are the key properties of 9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole?

9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole has a molecular weight of 981.26 g/mol, XLogP of 19.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 58883531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).