9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole

C99H72N2 — CID 162176343

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

9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole (PubChem CID 162176343) has the molecular formula C99H72N2 and a molecular weight of 1289.68 g/mol. Its IUPAC name is 9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole
• PubChem CID: 162176343
• Molecular Formula: C99H72N2
• Molecular Weight: 1289.68 g/mol
• Exact Mass: 1288.57
• IUPAC Name: 9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole
• SMILES: Cc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cc3)c3ccc(C(C)(C)C)cc23)cc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C50H33N.C49H39N/c1-3-15-34(16-4-1)39-19-7-8-20-40(39)37-29-32-48-46(33-37)41-21-13-14-26-47(41)51(48)38-30-27-36(28-31-38)50-44-24-11-9-22-42(44)49(35-17-5-2-6-18-35)43-23-10-12-25-45(43)50;1-32-18-20-34(21-19-32)48-41-16-9-8-15-40(41)47(42-28-25-37(31-44(42)48)49(2,3)4)35-22-26-38(27-23-35)50-45-17-11-10-14-39(45)43-30-36(24-29-46(43)50)33-12-6-5-7-13-33/h1-33H;5-31H,1-4H3
• InChIKey: ZOLGQMJRVMVGIE-UHFFFAOYSA-N
• XLogP: 27.46
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1289.68
LogP ≤ 5	27.46
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 9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole?

The IUPAC name of 9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole (CID 162176343) is 9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole.

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

The canonical SMILES for 9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole is Cc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cc3)c3ccc(C(C)(C)C)cc23)cc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1.

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

The InChIKey is ZOLGQMJRVMVGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N.C49H39N/c1-3-15-34(16-4-1)39-19-7-8-20-40(39)37-29-32-48-46(33-37)41-21-13-14-26-47(41)51(48)38-30-27-36(28-31-38)50-44-24-11-9-22-42(44)49(35-17-5-2-6-18-35)43-23-10-12-25-45(43)50;1-32-18-20-34(21-19-32)48-41-16-9-8-15-40(41)47(42-28-25-37(31-44(42)48)49(2,3)4)35-22-26-38(27-23-35)50-45-17-11-10-14-39(45)43-30-36(24-29-46(43)50)33-12-6-5-7-13-33/h1-33H;5-31H,1-4H3.

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

9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole has a molecular weight of 1289.68 g/mol, XLogP of 27.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole is sourced from PubChem (CID 162176343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).