2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine]

C58H44N4 — CID 71249576

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine]

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine] (PubChem CID 71249576) has the molecular formula C58H44N4 and a molecular weight of 797.02 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine].

Molecular Properties

• Compound Name: 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine]
• PubChem CID: 71249576
• Molecular Formula: C58H44N4
• Molecular Weight: 797.02 g/mol
• Exact Mass: 796.36
• IUPAC Name: 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine]
• SMILES: CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)C(C)(C)c1ccccc1C31c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
• InChI: InChI=1S/C58H44N4/c1-56(2)44-28-16-17-29-45(44)58(49-36-52-50(35-48(49)56)57(3,4)46-30-18-19-31-51(46)62(52)40-24-12-7-13-25-40)43-27-15-14-26-41(43)42-33-32-39(34-47(42)58)55-60-53(37-20-8-5-9-21-37)59-54(61-55)38-22-10-6-11-23-38/h5-36H,1-4H3
• InChIKey: TWLHCZWVAOJIOK-UHFFFAOYSA-N
• XLogP: 13.98
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.02
LogP ≤ 5	13.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine]?

The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine] (CID 71249576) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine].

What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine]?

The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine] is CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)C(C)(C)c1ccccc1C31c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.

What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine]?

The InChIKey is TWLHCZWVAOJIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N4/c1-56(2)44-28-16-17-29-45(44)58(49-36-52-50(35-48(49)56)57(3,4)46-30-18-19-31-51(46)62(52)40-24-12-7-13-25-40)43-27-15-14-26-41(43)42-33-32-39(34-47(42)58)55-60-53(37-20-8-5-9-21-37)59-54(61-55)38-22-10-6-11-23-38/h5-36H,1-4H3.

What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine]?

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine] has a molecular weight of 797.02 g/mol, XLogP of 13.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine] is sourced from PubChem (CID 71249576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).