9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole

C112H66N4 — CID 130306225

About 9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole

9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole (PubChem CID 130306225) has the molecular formula C112H66N4 and a molecular weight of 1467.79 g/mol. Its IUPAC name is 9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole.

Molecular Properties

• Compound Name: 9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
• PubChem CID: 130306225
• Molecular Formula: C112H66N4
• Molecular Weight: 1467.79 g/mol
• Exact Mass: 1466.53
• IUPAC Name: 9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6-c6ccc7c8c(cc(-c9cc(-c%10ccc%11c%12ccc%13ccccc%13c%12n(-c%12ccccc%12)c%11c%10)cc%10c9c9ccccc9n%10-c9ccccc9-c9ccc%10c%11c(cccc9%11)-c9ccccc9-%10)cc68)-c6ccccc6-7)c5c4)cc32)cc1
• InChI: InChI=1S/C112H66N4/c1-3-26-74(27-4-1)113-100-42-19-17-38-86(100)87-51-48-69(63-104(87)113)70-49-52-89-95-55-47-68-25-8-10-31-77(68)112(95)116(106(89)64-70)102-44-21-16-37-85(102)83-57-59-93-80-34-13-14-35-81(80)98-61-73(62-99(83)109(93)98)97-60-72(71-50-53-88-94-54-46-67-24-7-9-30-76(67)111(94)114(105(88)65-71)75-28-5-2-6-29-75)66-107-110(97)96-39-18-22-45-103(96)115(107)101-43-20-15-36-84(101)82-56-58-92-79-33-12-11-32-78(79)90-40-23-41-91(82)108(90)92/h1-66H
• InChIKey: CNWWHILPBZIFIT-UHFFFAOYSA-N
• XLogP: 30.32
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1467.79
LogP ≤ 5	30.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole?

The IUPAC name of 9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole (CID 130306225) is 9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole.

What is the SMILES notation for 9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole?

The canonical SMILES for 9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6-c6ccc7c8c(cc(-c9cc(-c%10ccc%11c%12ccc%13ccccc%13c%12n(-c%12ccccc%12)c%11c%10)cc%10c9c9ccccc9n%10-c9ccccc9-c9ccc%10c%11c(cccc9%11)-c9ccccc9-%10)cc68)-c6ccccc6-7)c5c4)cc32)cc1.

What is the InChIKey of 9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole?

The InChIKey is CNWWHILPBZIFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H66N4/c1-3-26-74(27-4-1)113-100-42-19-17-38-86(100)87-51-48-69(63-104(87)113)70-49-52-89-95-55-47-68-25-8-10-31-77(68)112(95)116(106(89)64-70)102-44-21-16-37-85(102)83-57-59-93-80-34-13-14-35-81(80)98-61-73(62-99(83)109(93)98)97-60-72(71-50-53-88-94-54-46-67-24-7-9-30-76(67)111(94)114(105(88)65-71)75-28-5-2-6-29-75)66-107-110(97)96-39-18-22-45-103(96)115(107)101-43-20-15-36-84(101)82-56-58-92-79-33-12-11-32-78(79)90-40-23-41-91(82)108(90)92/h1-66H.

What are the key properties of 9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole?

9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole has a molecular weight of 1467.79 g/mol, XLogP of 30.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 130306225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).