9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole

C71H46N4 — CID 58527010

About 9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole (PubChem CID 58527010) has the molecular formula C71H46N4 and a molecular weight of 955.18 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole
• PubChem CID: 58527010
• Molecular Formula: C71H46N4
• Molecular Weight: 955.18 g/mol
• Exact Mass: 954.37
• IUPAC Name: 9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc1
• InChI: InChI=1S/C71H46N4/c1-2-17-47(18-3-1)53-44-64(50-35-33-48(34-36-50)51-19-16-20-52(41-51)49-37-39-55(40-38-49)73-66-27-10-4-21-58(66)59-22-5-11-28-67(59)73)72-65(45-53)54-42-56(74-68-29-12-6-23-60(68)61-24-7-13-30-69(61)74)46-57(43-54)75-70-31-14-8-25-62(70)63-26-9-15-32-71(63)75/h1-46H
• InChIKey: IGBYBSGWZHVFBS-UHFFFAOYSA-N
• XLogP: 18.71
• TPSA: 27.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.18
LogP ≤ 5	18.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole?

The IUPAC name of 9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole (CID 58527010) is 9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole.

What is the SMILES notation for 9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole?

The canonical SMILES for 9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole is c1ccc(-c2cc(-c3ccc(-c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc1.

What is the InChIKey of 9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole?

The InChIKey is IGBYBSGWZHVFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N4/c1-2-17-47(18-3-1)53-44-64(50-35-33-48(34-36-50)51-19-16-20-52(41-51)49-37-39-55(40-38-49)73-66-27-10-4-21-58(66)59-22-5-11-28-67(59)73)72-65(45-53)54-42-56(74-68-29-12-6-23-60(68)61-24-7-13-30-69(61)74)46-57(43-54)75-70-31-14-8-25-62(70)63-26-9-15-32-71(63)75/h1-46H.

What are the key properties of 9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole?

9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole has a molecular weight of 955.18 g/mol, XLogP of 18.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 58527010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).