9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole

C126H96N6 — CID 167259143

About 9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole

9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole (PubChem CID 167259143) has the molecular formula C126H96N6 and a molecular weight of 1694.20 g/mol. Its IUPAC name is 9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole
• PubChem CID: 167259143
• Molecular Formula: C126H96N6
• Molecular Weight: 1694.20 g/mol
• Exact Mass: 1692.77
• IUPAC Name: 9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole
• SMILES: CC(C)(C)c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8ccccc8C(C)(C)C)cc7)ccc5n6-c5ccccc5)cc4c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cccc(-n9c%10ccccc%10c%10ccccc%109)c7n8-c7ccc(-c8ccc(C(C)(C)C)cc8)cc7)ccc65)ccc43)cc2)cc1
• InChI: InChI=1S/C126H96N6/c1-124(2,3)90-54-38-79(39-55-90)81-42-58-93(59-43-81)129-119-69-52-89(88-51-68-118-107(76-88)106-75-87(50-67-117(106)127(118)92-24-11-10-12-25-92)85-48-65-115-103(72-85)100-29-16-19-33-111(100)128(115)94-62-46-83(47-63-94)97-26-13-18-32-110(97)126(7,8)9)77-108(119)109-78-96(64-71-120(109)129)130-112-34-20-17-30-101(112)104-73-84(49-66-116(104)130)86-53-70-121-105(74-86)102-31-23-37-122(132-113-35-21-14-27-98(113)99-28-15-22-36-114(99)132)123(102)131(121)95-60-44-82(45-61-95)80-40-56-91(57-41-80)125(4,5)6/h10-78H,1-9H3
• InChIKey: OUIYMIRPJBKOJC-UHFFFAOYSA-N
• XLogP: 34.16
• TPSA: 29.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1694.20
LogP ≤ 5	34.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole?

The IUPAC name of 9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole (CID 167259143) is 9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole.

What is the SMILES notation for 9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole?

The canonical SMILES for 9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole is CC(C)(C)c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8ccccc8C(C)(C)C)cc7)ccc5n6-c5ccccc5)cc4c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cccc(-n9c%10ccccc%10c%10ccccc%109)c7n8-c7ccc(-c8ccc(C(C)(C)C)cc8)cc7)ccc65)ccc43)cc2)cc1.

What is the InChIKey of 9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole?

The InChIKey is OUIYMIRPJBKOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H96N6/c1-124(2,3)90-54-38-79(39-55-90)81-42-58-93(59-43-81)129-119-69-52-89(88-51-68-118-107(76-88)106-75-87(50-67-117(106)127(118)92-24-11-10-12-25-92)85-48-65-115-103(72-85)100-29-16-19-33-111(100)128(115)94-62-46-83(47-63-94)97-26-13-18-32-110(97)126(7,8)9)77-108(119)109-78-96(64-71-120(109)129)130-112-34-20-17-30-101(112)104-73-84(49-66-116(104)130)86-53-70-121-105(74-86)102-31-23-37-122(132-113-35-21-14-27-98(113)99-28-15-22-36-114(99)132)123(102)131(121)95-60-44-82(45-61-95)80-40-56-91(57-41-80)125(4,5)6/h10-78H,1-9H3.

What are the key properties of 9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole?

9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole has a molecular weight of 1694.20 g/mol, XLogP of 34.16, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole is sourced from PubChem (CID 167259143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).