7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole

C60H41N5 — CID 130209432

About 7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole

7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole (PubChem CID 130209432) has the molecular formula C60H41N5 and a molecular weight of 832.02 g/mol. Its IUPAC name is 7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
• PubChem CID: 130209432
• Molecular Formula: C60H41N5
• Molecular Weight: 832.02 g/mol
• Exact Mass: 831.34
• IUPAC Name: 7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3cc21
• InChI: InChI=1S/C60H41N5/c1-60(2)51-27-14-12-25-45(51)47-36-50-49-35-42(41-29-31-54-48(34-41)46-26-13-15-28-53(46)64(54)44-23-10-5-11-24-44)30-32-55(49)65(56(50)37-52(47)60)59-62-57(39-19-8-4-9-20-39)61-58(63-59)43-22-16-21-40(33-43)38-17-6-3-7-18-38/h3-37H,1-2H3
• InChIKey: QIYPRTSNXCLNSZ-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.02
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?

The IUPAC name of 7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole (CID 130209432) is 7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole.

What is the SMILES notation for 7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?

The canonical SMILES for 7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3cc21.

What is the InChIKey of 7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?

The InChIKey is QIYPRTSNXCLNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N5/c1-60(2)51-27-14-12-25-45(51)47-36-50-49-35-42(41-29-31-54-48(34-41)46-26-13-15-28-53(46)64(54)44-23-10-5-11-24-44)30-32-55(49)65(56(50)37-52(47)60)59-62-57(39-19-8-4-9-20-39)61-58(63-59)43-22-16-21-40(33-43)38-17-6-3-7-18-38/h3-37H,1-2H3.

What are the key properties of 7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?

7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole has a molecular weight of 832.02 g/mol, XLogP of 15.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole is sourced from PubChem (CID 130209432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).