9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

C67H46N4 — CID 142504785

About 9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 142504785) has the molecular formula C67H46N4 and a molecular weight of 907.13 g/mol. Its IUPAC name is 9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 142504785
• Molecular Formula: C67H46N4
• Molecular Weight: 907.13 g/mol
• Exact Mass: 906.37
• IUPAC Name: 9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)cc4)cccc32)c2ccccc21
• InChI: InChI=1S/C67H46N4/c1-66(2)55-27-10-12-29-57(55)67(58-30-13-11-28-56(58)66)54-26-9-6-24-53(54)62-50(25-17-31-59(62)67)45-36-40-47(41-37-45)64-68-63(46-38-34-44(35-39-46)43-18-4-3-5-19-43)69-65(70-64)48-20-16-21-49(42-48)71-60-32-14-7-22-51(60)52-23-8-15-33-61(52)71/h3-42H,1-2H3
• InChIKey: ASKKQNGNQLOANY-UHFFFAOYSA-N
• XLogP: 16.31
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.13
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 142504785) is 9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)cc4)cccc32)c2ccccc21.

What is the InChIKey of 9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?

The InChIKey is ASKKQNGNQLOANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N4/c1-66(2)55-27-10-12-29-57(55)67(58-30-13-11-28-56(58)66)54-26-9-6-24-53(54)62-50(25-17-31-59(62)67)45-36-40-47(41-37-45)64-68-63(46-38-34-44(35-39-46)43-18-4-3-5-19-43)69-65(70-64)48-20-16-21-49(42-48)71-60-32-14-7-22-51(60)52-23-8-15-33-61(52)71/h3-42H,1-2H3.

What are the key properties of 9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?

9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 907.13 g/mol, XLogP of 16.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 142504785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).