4-[9-[2-[4-(9,9-dimethyl-8,8a-dihydrofluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole

C72H51N5 — CID 174271738

About 4-[9-[2-[4-(9,9-dimethyl-8,8a-dihydrofluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole

4-[9-[2-[4-(9,9-dimethyl-8,8a-dihydrofluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole (PubChem CID 174271738) has the molecular formula C72H51N5 and a molecular weight of 986.24 g/mol. Its IUPAC name is 4-[9-[2-[4-(9,9-dimethyl-8,8a-dihydrofluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 4-[9-[2-[4-(9,9-dimethyl-8,8a-dihydrofluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole
• PubChem CID: 174271738
• Molecular Formula: C72H51N5
• Molecular Weight: 986.24 g/mol
• Exact Mass: 985.41
• IUPAC Name: 4-[9-[2-[4-(9,9-dimethyl-8,8a-dihydrofluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole
• SMILES: CC1(C)c2c(cccc2-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3ccc(-c4ccccc4)cc3-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)n2)C2=CC=CCC21
• InChI: InChI=1S/C72H51N5/c1-72(2)60-37-15-12-30-52(60)55-35-19-36-59(68(55)72)71-74-69(50-27-18-26-48(44-50)46-22-6-3-7-23-46)73-70(75-71)58-43-42-49(47-24-8-4-9-25-47)45-65(58)77-62-39-17-14-32-57(62)67-54(34-21-41-64(67)77)53-33-20-40-63-66(53)56-31-13-16-38-61(56)76(63)51-28-10-5-11-29-51/h3-36,38-45,60H,37H2,1-2H3
• InChIKey: ZACZLXGEUCVBRN-UHFFFAOYSA-N
• XLogP: 18.32
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	986.24
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[9-[2-[4-(9,9-dimethyl-8,8a-dihydrofluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole?

The IUPAC name of 4-[9-[2-[4-(9,9-dimethyl-8,8a-dihydrofluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole (CID 174271738) is 4-[9-[2-[4-(9,9-dimethyl-8,8a-dihydrofluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole.

What is the SMILES notation for 4-[9-[2-[4-(9,9-dimethyl-8,8a-dihydrofluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole?

The canonical SMILES for 4-[9-[2-[4-(9,9-dimethyl-8,8a-dihydrofluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole is CC1(C)c2c(cccc2-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3ccc(-c4ccccc4)cc3-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)n2)C2=CC=CCC21.

What is the InChIKey of 4-[9-[2-[4-(9,9-dimethyl-8,8a-dihydrofluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole?

The InChIKey is ZACZLXGEUCVBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H51N5/c1-72(2)60-37-15-12-30-52(60)55-35-19-36-59(68(55)72)71-74-69(50-27-18-26-48(44-50)46-22-6-3-7-23-46)73-70(75-71)58-43-42-49(47-24-8-4-9-25-47)45-65(58)77-62-39-17-14-32-57(62)67-54(34-21-41-64(67)77)53-33-20-40-63-66(53)56-31-13-16-38-61(56)76(63)51-28-10-5-11-29-51/h3-36,38-45,60H,37H2,1-2H3.

What are the key properties of 4-[9-[2-[4-(9,9-dimethyl-8,8a-dihydrofluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole?

4-[9-[2-[4-(9,9-dimethyl-8,8a-dihydrofluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole has a molecular weight of 986.24 g/mol, XLogP of 18.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[2-[4-(9,9-dimethyl-8,8a-dihydrofluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 174271738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).