5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile

C75H49N7 — CID 169288908

About 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile

5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile (PubChem CID 169288908) has the molecular formula C75H49N7 and a molecular weight of 1048.27 g/mol. Its IUPAC name is 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile
• PubChem CID: 169288908
• Molecular Formula: C75H49N7
• Molecular Weight: 1048.27 g/mol
• Exact Mass: 1047.40
• IUPAC Name: 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile
• SMILES: CN1CN(c2cccc(C3(c4ccc5c6ccccc6n(-c6cc(C#N)c(-c7c(-n8c9ccccc9c9ccccc98)cccc7-n7c8ccccc8c8ccccc87)cn6)c5c4)c4ccccc4-c4ccccc43)c2)c2ccccc21
• InChI: InChI=1S/C75H49N7/c1-78-47-79(69-37-17-16-36-68(69)78)51-21-18-20-49(43-51)75(61-29-9-2-22-52(61)53-23-3-10-30-62(53)75)50-40-41-59-58-28-8-15-35-67(58)82(72(59)44-50)73-42-48(45-76)60(46-77-73)74-70(80-63-31-11-4-24-54(63)55-25-5-12-32-64(55)80)38-19-39-71(74)81-65-33-13-6-26-56(65)57-27-7-14-34-66(57)81/h2-44,46H,47H2,1H3
• InChIKey: QYGVMXQIINTOGF-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 57.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1048.27
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile?

The IUPAC name of 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile (CID 169288908) is 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile.

What is the SMILES notation for 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile?

The canonical SMILES for 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile is CN1CN(c2cccc(C3(c4ccc5c6ccccc6n(-c6cc(C#N)c(-c7c(-n8c9ccccc9c9ccccc98)cccc7-n7c8ccccc8c8ccccc87)cn6)c5c4)c4ccccc4-c4ccccc43)c2)c2ccccc21.

What is the InChIKey of 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile?

The InChIKey is QYGVMXQIINTOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H49N7/c1-78-47-79(69-37-17-16-36-68(69)78)51-21-18-20-49(43-51)75(61-29-9-2-22-52(61)53-23-3-10-30-62(53)75)50-40-41-59-58-28-8-15-35-67(58)82(72(59)44-50)73-42-48(45-76)60(46-77-73)74-70(80-63-31-11-4-24-54(63)55-25-5-12-32-64(55)80)38-19-39-71(74)81-65-33-13-6-26-56(65)57-27-7-14-34-66(57)81/h2-44,46H,47H2,1H3.

What are the key properties of 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile?

5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile has a molecular weight of 1048.27 g/mol, XLogP of 17.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 169288908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).