9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole

C125H89N3 — CID 159405413

About 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole

9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole (PubChem CID 159405413) has the molecular formula C125H89N3 and a molecular weight of 1633.11 g/mol. Its IUPAC name is 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole
• PubChem CID: 159405413
• Molecular Formula: C125H89N3
• Molecular Weight: 1633.11 g/mol
• Exact Mass: 1631.71
• IUPAC Name: 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole
• SMILES: CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C44H29N.C42H33N.C39H27N/c1-2-14-30(15-3-1)33-16-4-5-19-36(33)44-39-22-8-6-20-37(39)43(38-21-7-9-23-40(38)44)31-26-28-32(29-27-31)45-41-24-12-10-17-34(41)35-18-11-13-25-42(35)45;1-42(2,3)30-24-20-28(21-25-30)40-34-14-4-6-16-36(34)41(37-17-7-5-15-35(37)40)29-22-26-31(27-23-29)43-38-18-10-8-12-32(38)33-13-9-11-19-39(33)43;1-26-18-20-27(21-19-26)38-32-12-2-4-14-34(32)39(35-15-5-3-13-33(35)38)28-22-24-29(25-23-28)40-36-16-8-6-10-30(36)31-11-7-9-17-37(31)40/h1-29H;4-27H,1-3H3;2-25H,1H3
• InChIKey: LNWUQSPRAOFETJ-UHFFFAOYSA-N
• XLogP: 34.55
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1633.11
LogP ≤ 5	34.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole?

The IUPAC name of 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole (CID 159405413) is 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole.

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

The canonical SMILES for 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.

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

The InChIKey is LNWUQSPRAOFETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N.C42H33N.C39H27N/c1-2-14-30(15-3-1)33-16-4-5-19-36(33)44-39-22-8-6-20-37(39)43(38-21-7-9-23-40(38)44)31-26-28-32(29-27-31)45-41-24-12-10-17-34(41)35-18-11-13-25-42(35)45;1-42(2,3)30-24-20-28(21-25-30)40-34-14-4-6-16-36(34)41(37-17-7-5-15-35(37)40)29-22-26-31(27-23-29)43-38-18-10-8-12-32(38)33-13-9-11-19-39(33)43;1-26-18-20-27(21-19-26)38-32-12-2-4-14-34(32)39(35-15-5-3-13-33(35)38)28-22-24-29(25-23-28)40-36-16-8-6-10-30(36)31-11-7-9-17-37(31)40/h1-29H;4-27H,1-3H3;2-25H,1H3.

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

9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole has a molecular weight of 1633.11 g/mol, XLogP of 34.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 159405413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).