6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine

C44H43N3 — CID 146531632

About 6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine

6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 146531632) has the molecular formula C44H43N3 and a molecular weight of 613.85 g/mol. Its IUPAC name is 6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

• Compound Name: 6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine
• PubChem CID: 146531632
• Molecular Formula: C44H43N3
• Molecular Weight: 613.85 g/mol
• Exact Mass: 613.35
• IUPAC Name: 6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine
• SMILES: CC1(C)C2=C(C=CCC2)c2ccc(C3N=C(c4ccc5c(c4)C(C)(C)C4C=CC=CC54C)NC(c4ccc5ccccc5c4)N3)cc21
• InChI: InChI=1S/C44H43N3/c1-42(2)34-15-9-8-14-32(34)33-21-19-30(25-36(33)42)40-45-39(29-18-17-27-12-6-7-13-28(27)24-29)46-41(47-40)31-20-22-35-37(26-31)43(3,4)38-16-10-11-23-44(35,38)5/h6-8,10-14,16-26,38-40,45H,9,15H2,1-5H3,(H,46,47)
• InChIKey: SGCYAUYBMZJSFK-UHFFFAOYSA-N
• XLogP: 9.86
• TPSA: 36.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.85
LogP ≤ 5	9.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine?

The IUPAC name of 6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 146531632) is 6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine.

What is the SMILES notation for 6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine?

The canonical SMILES for 6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine is CC1(C)C2=C(C=CCC2)c2ccc(C3N=C(c4ccc5c(c4)C(C)(C)C4C=CC=CC54C)NC(c4ccc5ccccc5c4)N3)cc21.

What is the InChIKey of 6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine?

The InChIKey is SGCYAUYBMZJSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H43N3/c1-42(2)34-15-9-8-14-32(34)33-21-19-30(25-36(33)42)40-45-39(29-18-17-27-12-6-7-13-28(27)24-29)46-41(47-40)31-20-22-35-37(26-31)43(3,4)38-16-10-11-23-44(35,38)5/h6-8,10-14,16-26,38-40,45H,9,15H2,1-5H3,(H,46,47).

What are the key properties of 6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine?

6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 613.85 g/mol, XLogP of 9.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 146531632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).