2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole

C54H36N6O — CID 174276189

About 2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole

2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole (PubChem CID 174276189) has the molecular formula C54H36N6O and a molecular weight of 784.92 g/mol. Its IUPAC name is 2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
• PubChem CID: 174276189
• Molecular Formula: C54H36N6O
• Molecular Weight: 784.92 g/mol
• Exact Mass: 784.30
• IUPAC Name: 2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
• SMILES: CC1C2=C(CCC=C2)c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8nc9ccccc9o8)c7)c6c54)n3)cc21
• InChI: InChI=1S/C54H36N6O/c1-32-37-18-5-6-19-38(37)39-27-26-34(31-44(32)39)52-56-51(33-14-3-2-4-15-33)57-54(58-52)60-47-24-11-8-21-41(47)43-29-28-42-40-20-7-10-23-46(40)59(49(42)50(43)60)36-17-13-16-35(30-36)53-55-45-22-9-12-25-48(45)61-53/h2-5,7-18,20-32H,6,19H2,1H3
• InChIKey: KSONEFPJZLNVKC-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 74.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.92
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole?

The IUPAC name of 2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole (CID 174276189) is 2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole.

What is the SMILES notation for 2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole?

The canonical SMILES for 2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole is CC1C2=C(CCC=C2)c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8nc9ccccc9o8)c7)c6c54)n3)cc21.

What is the InChIKey of 2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole?

The InChIKey is KSONEFPJZLNVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N6O/c1-32-37-18-5-6-19-38(37)39-27-26-34(31-44(32)39)52-56-51(33-14-3-2-4-15-33)57-54(58-52)60-47-24-11-8-21-41(47)43-29-28-42-40-20-7-10-23-46(40)59(49(42)50(43)60)36-17-13-16-35(30-36)53-55-45-22-9-12-25-48(45)61-53/h2-5,7-18,20-32H,6,19H2,1H3.

What are the key properties of 2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole?

2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole has a molecular weight of 784.92 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 174276189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).