9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole

C62H41N — CID 70669817

About 9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole

9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole (PubChem CID 70669817) has the molecular formula C62H41N and a molecular weight of 800.02 g/mol. Its IUPAC name is 9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
• PubChem CID: 70669817
• Molecular Formula: C62H41N
• Molecular Weight: 800.02 g/mol
• Exact Mass: 799.32
• IUPAC Name: 9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5)c5ccccc5C4(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccc(-c5ccccc5)cc43)cc2)cc1
• InChI: InChI=1S/C62H41N/c1-4-17-42(18-5-1)44-31-33-45(34-32-44)47-36-38-56-58(40-47)61(48-21-8-3-9-22-48)53-27-12-13-28-54(53)62(56,55-37-35-46(39-57(55)61)43-19-6-2-7-20-43)49-23-16-24-50(41-49)63-59-29-14-10-25-51(59)52-26-11-15-30-60(52)63/h1-41H
• InChIKey: WVAYEZKHUBTKJD-UHFFFAOYSA-N
• XLogP: 15.18
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.02
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole?

The IUPAC name of 9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole (CID 70669817) is 9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole.

What is the SMILES notation for 9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole?

The canonical SMILES for 9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole is c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5)c5ccccc5C4(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccc(-c5ccccc5)cc43)cc2)cc1.

What is the InChIKey of 9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole?

The InChIKey is WVAYEZKHUBTKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N/c1-4-17-42(18-5-1)44-31-33-45(34-32-44)47-36-38-56-58(40-47)61(48-21-8-3-9-22-48)53-27-12-13-28-54(53)62(56,55-37-35-46(39-57(55)61)43-19-6-2-7-20-43)49-23-16-24-50(41-49)63-59-29-14-10-25-51(59)52-26-11-15-30-60(52)63/h1-41H.

What are the key properties of 9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole?

9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole has a molecular weight of 800.02 g/mol, XLogP of 15.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole is sourced from PubChem (CID 70669817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).