10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene]

C62H40N2 — CID 134531017

About 10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene]

10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 134531017) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is 10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene]
• PubChem CID: 134531017
• Molecular Formula: C62H40N2
• Molecular Weight: 813.02 g/mol
• Exact Mass: 812.32
• IUPAC Name: 10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6N(c6ccccc6)c6ccccc65)cc4)nc3)c3ccccc23)cc1
• InChI: InChI=1S/C62H40N2/c1-3-17-43(18-4-1)60-48-22-7-9-24-50(48)61(51-25-10-8-23-49(51)60)45-36-38-57(63-40-45)42-33-31-41(32-34-42)44-35-37-54-52(39-44)47-21-11-12-26-53(47)62(54)55-27-13-15-29-58(55)64(46-19-5-2-6-20-46)59-30-16-14-28-56(59)62/h1-40H
• InChIKey: YKTVDKLRGFFQBA-UHFFFAOYSA-N
• XLogP: 16.20
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.02
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene]?

The IUPAC name of 10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene] (CID 134531017) is 10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene].

What is the SMILES notation for 10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene]?

The canonical SMILES for 10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene] is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6N(c6ccccc6)c6ccccc65)cc4)nc3)c3ccccc23)cc1.

What is the InChIKey of 10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene]?

The InChIKey is YKTVDKLRGFFQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-3-17-43(18-4-1)60-48-22-7-9-24-50(48)61(51-25-10-8-23-49(51)60)45-36-38-57(63-40-45)42-33-31-41(32-34-42)44-35-37-54-52(39-44)47-21-11-12-26-53(47)62(54)55-27-13-15-29-58(55)64(46-19-5-2-6-20-46)59-30-16-14-28-56(59)62/h1-40H.

What are the key properties of 10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene]?

10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 813.02 g/mol, XLogP of 16.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 134531017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).