2-[4-[9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]phenyl]-9,9'-spirobi[fluorene]

C76H58 — CID 176633329

About 2-[4-[9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]phenyl]-9,9'-spirobi[fluorene]

2-[4-[9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]phenyl]-9,9'-spirobi[fluorene] (PubChem CID 176633329) has the molecular formula C76H58 and a molecular weight of 971.30 g/mol. Its IUPAC name is 2-[4-[9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

• Compound Name: 2-[4-[9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]phenyl]-9,9'-spirobi[fluorene]
• PubChem CID: 176633329
• Molecular Formula: C76H58
• Molecular Weight: 971.30 g/mol
• Exact Mass: 970.45
• IUPAC Name: 2-[4-[9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]phenyl]-9,9'-spirobi[fluorene]
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(C56CC7C8CC9(c%10ccc(-c%11ccc%12c(c%11)C%11(c%13ccccc%13-c%13ccccc%13%11)c%11ccccc%11-%12)cc%10)CC7C(C5)C(C9)C8C6)cc4)cc32)cc1
• InChI: InChI=1S/C76H58/c1-3-15-53(16-4-1)75(54-17-5-2-6-18-54)67-23-11-7-21-57(67)59-37-31-49(39-71(59)75)47-27-33-51(34-28-47)73-41-61-64-44-74(45-65(61)63(43-73)66(46-74)62(64)42-73)52-35-29-48(30-36-52)50-32-38-60-58-22-10-14-26-70(58)76(72(60)40-50)68-24-12-8-19-55(68)56-20-9-13-25-69(56)76/h1-40,61-66H,41-46H2
• InChIKey: UYBKDIBQGISFAX-UHFFFAOYSA-N
• XLogP: 18.01
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.30
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]phenyl]-9,9'-spirobi[fluorene]?

The IUPAC name of 2-[4-[9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]phenyl]-9,9'-spirobi[fluorene] (CID 176633329) is 2-[4-[9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]phenyl]-9,9'-spirobi[fluorene].

What is the SMILES notation for 2-[4-[9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]phenyl]-9,9'-spirobi[fluorene]?

The canonical SMILES for 2-[4-[9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]phenyl]-9,9'-spirobi[fluorene] is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(C56CC7C8CC9(c%10ccc(-c%11ccc%12c(c%11)C%11(c%13ccccc%13-c%13ccccc%13%11)c%11ccccc%11-%12)cc%10)CC7C(C5)C(C9)C8C6)cc4)cc32)cc1.

What is the InChIKey of 2-[4-[9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]phenyl]-9,9'-spirobi[fluorene]?

The InChIKey is UYBKDIBQGISFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H58/c1-3-15-53(16-4-1)75(54-17-5-2-6-18-54)67-23-11-7-21-57(67)59-37-31-49(39-71(59)75)47-27-33-51(34-28-47)73-41-61-64-44-74(45-65(61)63(43-73)66(46-74)62(64)42-73)52-35-29-48(30-36-52)50-32-38-60-58-22-10-14-26-70(58)76(72(60)40-50)68-24-12-8-19-55(68)56-20-9-13-25-69(56)76/h1-40,61-66H,41-46H2.

What are the key properties of 2-[4-[9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]phenyl]-9,9'-spirobi[fluorene]?

2-[4-[9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 971.30 g/mol, XLogP of 18.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 176633329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).