5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

C106H66N8O — CID 126632809

About 5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 126632809) has the molecular formula C106H66N8O and a molecular weight of 1467.75 g/mol. Its IUPAC name is 5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
• PubChem CID: 126632809
• Molecular Formula: C106H66N8O
• Molecular Weight: 1467.75 g/mol
• Exact Mass: 1466.54
• IUPAC Name: 5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccc6cc(-n7c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc8c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc87)ccc6c5)nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)n4)c3cc21
• InChI: InChI=1S/C106H66N8O/c1-106(2)89-31-15-9-25-75(89)83-61-87-79-29-13-19-35-94(79)114(100(87)62-90(83)106)105-108-103(107-104(109-105)113-93-34-18-12-28-78(93)86-55-65(44-51-97(86)113)68-45-52-102-88(58-68)82-30-14-20-36-101(82)115-102)71-38-37-64-54-74(46-39-63(64)53-71)112-98-59-69(66-42-49-95-84(56-66)76-26-10-16-32-91(76)110(95)72-21-5-3-6-22-72)40-47-80(98)81-48-41-70(60-99(81)112)67-43-50-96-85(57-67)77-27-11-17-33-92(77)111(96)73-23-7-4-8-24-73/h3-62H,1-2H3
• InChIKey: HWHXMLSOXJXAAR-UHFFFAOYSA-N
• XLogP: 27.38
• TPSA: 76.46 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1467.75
LogP ≤ 5	27.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

The IUPAC name of 5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 126632809) is 5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

What is the SMILES notation for 5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

The canonical SMILES for 5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccc6cc(-n7c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc8c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc87)ccc6c5)nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)n4)c3cc21.

What is the InChIKey of 5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

The InChIKey is HWHXMLSOXJXAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H66N8O/c1-106(2)89-31-15-9-25-75(89)83-61-87-79-29-13-19-35-94(79)114(100(87)62-90(83)106)105-108-103(107-104(109-105)113-93-34-18-12-28-78(93)86-55-65(44-51-97(86)113)68-45-52-102-88(58-68)82-30-14-20-36-101(82)115-102)71-38-37-64-54-74(46-39-63(64)53-71)112-98-59-69(66-42-49-95-84(56-66)76-26-10-16-32-91(76)110(95)72-21-5-3-6-22-72)40-47-80(98)81-48-41-70(60-99(81)112)67-43-50-96-85(57-67)77-27-11-17-33-92(77)111(96)73-23-7-4-8-24-73/h3-62H,1-2H3.

What are the key properties of 5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 1467.75 g/mol, XLogP of 27.38, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 126632809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).