9-[3-carbazol-9-yl-5-[4-[5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole

C71H45N3 — CID 58050257

About 9-[3-carbazol-9-yl-5-[4-[5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[4-[5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole (PubChem CID 58050257) has the molecular formula C71H45N3 and a molecular weight of 940.16 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[4-[5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-5-[4-[5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole
• PubChem CID: 58050257
• Molecular Formula: C71H45N3
• Molecular Weight: 940.16 g/mol
• Exact Mass: 939.36
• IUPAC Name: 9-[3-carbazol-9-yl-5-[4-[5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole
• SMILES: c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cncc(-c6ccc(-c7cc(-n8c9ccccc9c9ccccc98)cc(-n8c9ccccc9c9ccccc98)c7)cc6)c5)cc4)c4ccccc34)cccc2c1
• InChI: InChI=1S/C71H45N3/c1-2-18-56-49(16-1)17-15-27-61(56)71-64-25-5-3-23-62(64)70(63-24-4-6-26-65(63)71)50-38-36-48(37-39-50)53-40-52(44-72-45-53)47-34-32-46(33-35-47)51-41-54(73-66-28-11-7-19-57(66)58-20-8-12-29-67(58)73)43-55(42-51)74-68-30-13-9-21-59(68)60-22-10-14-31-69(60)74/h1-45H
• InChIKey: KFDUHGBFDYLYSI-UHFFFAOYSA-N
• XLogP: 19.07
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.16
LogP ≤ 5	19.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[4-[5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole?

The IUPAC name of 9-[3-carbazol-9-yl-5-[4-[5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole (CID 58050257) is 9-[3-carbazol-9-yl-5-[4-[5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole.

What is the SMILES notation for 9-[3-carbazol-9-yl-5-[4-[5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole?

The canonical SMILES for 9-[3-carbazol-9-yl-5-[4-[5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole is c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cncc(-c6ccc(-c7cc(-n8c9ccccc9c9ccccc98)cc(-n8c9ccccc9c9ccccc98)c7)cc6)c5)cc4)c4ccccc34)cccc2c1.

What is the InChIKey of 9-[3-carbazol-9-yl-5-[4-[5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole?

The InChIKey is KFDUHGBFDYLYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H45N3/c1-2-18-56-49(16-1)17-15-27-61(56)71-64-25-5-3-23-62(64)70(63-24-4-6-26-65(63)71)50-38-36-48(37-39-50)53-40-52(44-72-45-53)47-34-32-46(33-35-47)51-41-54(73-66-28-11-7-19-57(66)58-20-8-12-29-67(58)73)43-55(42-51)74-68-30-13-9-21-59(68)60-22-10-14-31-69(60)74/h1-45H.

What are the key properties of 9-[3-carbazol-9-yl-5-[4-[5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole?

9-[3-carbazol-9-yl-5-[4-[5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole has a molecular weight of 940.16 g/mol, XLogP of 19.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-carbazol-9-yl-5-[4-[5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 58050257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).