9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-(3,5-dipyridin-3-ylphenyl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole

C146H114N8 — CID 58151190

About 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-(3,5-dipyridin-3-ylphenyl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole

9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-(3,5-dipyridin-3-ylphenyl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole (PubChem CID 58151190) has the molecular formula C146H114N8 and a molecular weight of 1980.57 g/mol. Its IUPAC name is 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-(3,5-dipyridin-3-ylphenyl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole.

Molecular Properties

• Compound Name: 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-(3,5-dipyridin-3-ylphenyl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole
• PubChem CID: 58151190
• Molecular Formula: C146H114N8
• Molecular Weight: 1980.57 g/mol
• Exact Mass: 1978.92
• IUPAC Name: 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-(3,5-dipyridin-3-ylphenyl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole
• SMILES: CC(C)(C)c1ccc(-n2c3ccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)cc3c3cc(C4(c5ccc6c(c5)c5cc(C7(c8ccc9c(c8)c8cc(-c%10cc(-c%11cccnc%11)cc(-c%11cccnc%11)c%10)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)ccc5n6-c5ccc(-c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6)cc5)c5ccccc5-c5ccccc54)ccc32)cc1
• InChI: InChI=1S/C146H114N8/c1-141(2,3)105-43-57-115(58-44-105)153-133-61-41-93(99-73-101(95-25-21-69-147-87-95)77-102(74-99)96-26-22-70-148-88-96)79-121(133)125-83-109(49-65-137(125)153)145(129-33-17-13-29-117(129)118-30-14-18-34-130(118)145)111-51-67-139-127(85-111)128-86-112(52-68-140(128)152(139)114-55-39-92(40-56-114)91-37-53-113(54-38-91)151-135-63-47-107(143(7,8)9)81-123(135)124-82-108(144(10,11)12)48-64-136(124)151)146(131-35-19-15-31-119(131)120-32-16-20-36-132(120)146)110-50-66-138-126(84-110)122-80-94(42-62-134(122)154(138)116-59-45-106(46-60-116)142(4,5)6)100-75-103(97-27-23-71-149-89-97)78-104(76-100)98-28-24-72-150-90-98/h13-90H,1-12H3
• InChIKey: AKZJEUUCICVUDV-UHFFFAOYSA-N
• XLogP: 37.24
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1980.57
LogP ≤ 5	37.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-(3,5-dipyridin-3-ylphenyl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole?

The IUPAC name of 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-(3,5-dipyridin-3-ylphenyl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole (CID 58151190) is 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-(3,5-dipyridin-3-ylphenyl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole.

What is the SMILES notation for 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-(3,5-dipyridin-3-ylphenyl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole?

The canonical SMILES for 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-(3,5-dipyridin-3-ylphenyl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole is CC(C)(C)c1ccc(-n2c3ccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)cc3c3cc(C4(c5ccc6c(c5)c5cc(C7(c8ccc9c(c8)c8cc(-c%10cc(-c%11cccnc%11)cc(-c%11cccnc%11)c%10)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)ccc5n6-c5ccc(-c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6)cc5)c5ccccc5-c5ccccc54)ccc32)cc1.

What is the InChIKey of 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-(3,5-dipyridin-3-ylphenyl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole?

The InChIKey is AKZJEUUCICVUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H114N8/c1-141(2,3)105-43-57-115(58-44-105)153-133-61-41-93(99-73-101(95-25-21-69-147-87-95)77-102(74-99)96-26-22-70-148-88-96)79-121(133)125-83-109(49-65-137(125)153)145(129-33-17-13-29-117(129)118-30-14-18-34-130(118)145)111-51-67-139-127(85-111)128-86-112(52-68-140(128)152(139)114-55-39-92(40-56-114)91-37-53-113(54-38-91)151-135-63-47-107(143(7,8)9)81-123(135)124-82-108(144(10,11)12)48-64-136(124)151)146(131-35-19-15-31-119(131)120-32-16-20-36-132(120)146)110-50-66-138-126(84-110)122-80-94(42-62-134(122)154(138)116-59-45-106(46-60-116)142(4,5)6)100-75-103(97-27-23-71-149-89-97)78-104(76-100)98-28-24-72-150-90-98/h13-90H,1-12H3.

What are the key properties of 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-(3,5-dipyridin-3-ylphenyl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole?

9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-(3,5-dipyridin-3-ylphenyl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole has a molecular weight of 1980.57 g/mol, XLogP of 37.24, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-(3,5-dipyridin-3-ylphenyl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole is sourced from PubChem (CID 58151190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).