3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole

C56H46N2 — CID 170277828

About 3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole (PubChem CID 170277828) has the molecular formula C56H46N2 and a molecular weight of 747.00 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole
• PubChem CID: 170277828
• Molecular Formula: C56H46N2
• Molecular Weight: 747.00 g/mol
• Exact Mass: 746.37
• IUPAC Name: 3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)ccc21
• InChI: InChI=1S/C56H46N2/c1-55(2)32-33-56(3,4)50-36-40(24-29-49(50)55)44-17-9-8-16-43(44)37-22-27-42(28-23-37)58-52-21-13-11-19-46(52)48-35-39(26-31-54(48)58)38-25-30-53-47(34-38)45-18-10-12-20-51(45)57(53)41-14-6-5-7-15-41/h5-31,34-36H,32-33H2,1-4H3
• InChIKey: PYYBAWOJLRNPDF-UHFFFAOYSA-N
• XLogP: 15.23
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.00
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole?

The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole (CID 170277828) is 3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole.

What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole?

The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole is CC1(C)CCC(C)(C)c2cc(-c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)ccc21.

What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole?

The InChIKey is PYYBAWOJLRNPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N2/c1-55(2)32-33-56(3,4)50-36-40(24-29-49(50)55)44-17-9-8-16-43(44)37-22-27-42(28-23-37)58-52-21-13-11-19-46(52)48-35-39(26-31-54(48)58)38-25-30-53-47(34-38)45-18-10-12-20-51(45)57(53)41-14-6-5-7-15-41/h5-31,34-36H,32-33H2,1-4H3.

What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole?

3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole has a molecular weight of 747.00 g/mol, XLogP of 15.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 170277828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).