3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole

C136H122N2 — CID 161415057

About 3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole

3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole (PubChem CID 161415057) has the molecular formula C136H122N2 and a molecular weight of 1784.49 g/mol. Its IUPAC name is 3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole
• PubChem CID: 161415057
• Molecular Formula: C136H122N2
• Molecular Weight: 1784.49 g/mol
• Exact Mass: 1782.96
• IUPAC Name: 3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole
• SMILES: CC(C)(C)c1ccc2c(-c3ccc(-c4ccc(-c5ccc6c(c5)c5cc(C(C)(C)C)ccc5n6-c5ccccc5)cc4)cc3)c3cc(C(C)(C)C)ccc3c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2c1.CC(C)(C)c1ccc2c(-c3ccc(-c4ccc(-c5ccc6c(c5)c5cc(C(C)(C)C)ccc5n6-c5ccccc5)cc4)cc3)c3cc(C(C)(C)C)ccc3c(-c3ccccc3)c2c1
• InChI: InChI=1S/C74H65N.C62H57N/c1-72(2,3)58-38-41-63-66(46-58)70(55-32-28-52(29-33-55)50-22-20-49(21-23-50)48-16-12-10-13-17-48)62-40-37-59(73(4,5)6)47-67(62)71(63)56-34-30-53(31-35-56)51-24-26-54(27-25-51)57-36-42-68-64(44-57)65-45-60(74(7,8)9)39-43-69(65)75(68)61-18-14-11-15-19-61;1-60(2,3)46-30-33-51-54(38-46)58(43-16-12-10-13-17-43)50-32-29-47(61(4,5)6)39-55(50)59(51)44-26-24-41(25-27-44)40-20-22-42(23-21-40)45-28-34-56-52(36-45)53-37-48(62(7,8)9)31-35-57(53)63(56)49-18-14-11-15-19-49/h10-47H,1-9H3;10-39H,1-9H3
• InChIKey: VVYXUBUJBZDVLX-UHFFFAOYSA-N
• XLogP: 38.64
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1784.49
LogP ≤ 5	38.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole?

The IUPAC name of 3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole (CID 161415057) is 3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole.

What is the SMILES notation for 3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole?

The canonical SMILES for 3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole is CC(C)(C)c1ccc2c(-c3ccc(-c4ccc(-c5ccc6c(c5)c5cc(C(C)(C)C)ccc5n6-c5ccccc5)cc4)cc3)c3cc(C(C)(C)C)ccc3c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2c1.CC(C)(C)c1ccc2c(-c3ccc(-c4ccc(-c5ccc6c(c5)c5cc(C(C)(C)C)ccc5n6-c5ccccc5)cc4)cc3)c3cc(C(C)(C)C)ccc3c(-c3ccccc3)c2c1.

What is the InChIKey of 3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole?

The InChIKey is VVYXUBUJBZDVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H65N.C62H57N/c1-72(2,3)58-38-41-63-66(46-58)70(55-32-28-52(29-33-55)50-22-20-49(21-23-50)48-16-12-10-13-17-48)62-40-37-59(73(4,5)6)47-67(62)71(63)56-34-30-53(31-35-56)51-24-26-54(27-25-51)57-36-42-68-64(44-57)65-45-60(74(7,8)9)39-43-69(65)75(68)61-18-14-11-15-19-61;1-60(2,3)46-30-33-51-54(38-46)58(43-16-12-10-13-17-43)50-32-29-47(61(4,5)6)39-55(50)59(51)44-26-24-41(25-27-44)40-20-22-42(23-21-40)45-28-34-56-52(36-45)53-37-48(62(7,8)9)31-35-57(53)63(56)49-18-14-11-15-19-49/h10-47H,1-9H3;10-39H,1-9H3.

What are the key properties of 3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole?

3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole has a molecular weight of 1784.49 g/mol, XLogP of 38.64, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 161415057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).