9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

C98H62N8 — CID 165151261

About 9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 165151261) has the molecular formula C98H62N8 and a molecular weight of 1351.63 g/mol. Its IUPAC name is 9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 165151261
• Molecular Formula: C98H62N8
• Molecular Weight: 1351.63 g/mol
• Exact Mass: 1350.51
• IUPAC Name: 9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9cccc%10c9c9ccccc9n%10-c9ccccc9)cc8)n7)cc6)ccc54)cc3)nc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)n2)cc1
• InChI: InChI=1S/C98H62N8/c1-5-21-65(22-6-1)93-99-95(103-97(101-93)69-51-43-63(44-52-69)75-33-19-37-87-91(75)81-31-15-17-35-85(81)105(87)73-25-9-3-10-26-73)67-47-39-61(40-48-67)71-55-57-79-83(59-71)89-77-29-13-14-30-78(77)90(79)84-60-72(56-58-80(84)89)62-41-49-68(50-42-62)96-100-94(66-23-7-2-8-24-66)102-98(104-96)70-53-45-64(46-54-70)76-34-20-38-88-92(76)82-32-16-18-36-86(82)106(88)74-27-11-4-12-28-74/h1-60,89-90H
• InChIKey: IOYSELZQMPCGBC-UHFFFAOYSA-N
• XLogP: 23.91
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1351.63
LogP ≤ 5	23.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (CID 165151261) is 9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9cccc%10c9c9ccccc9n%10-c9ccccc9)cc8)n7)cc6)ccc54)cc3)nc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)n2)cc1.

What is the InChIKey of 9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The InChIKey is IOYSELZQMPCGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H62N8/c1-5-21-65(22-6-1)93-99-95(103-97(101-93)69-51-43-63(44-52-69)75-33-19-37-87-91(75)81-31-15-17-35-85(81)105(87)73-25-9-3-10-26-73)67-47-39-61(40-48-67)71-55-57-79-83(59-71)89-77-29-13-14-30-78(77)90(79)84-60-72(56-58-80(84)89)62-41-49-68(50-42-62)96-100-94(66-23-7-2-8-24-66)102-98(104-96)70-53-45-64(46-54-70)76-34-20-38-88-92(76)82-32-16-18-36-86(82)106(88)74-27-11-4-12-28-74/h1-60,89-90H.

What are the key properties of 9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 1351.63 g/mol, XLogP of 23.91, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 165151261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).