13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

C59H36N4O — CID 146613361

IUPAC13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
SMILESc1ccc(-c2nc3ccccc3c3c4c(ccc23)C2(c3ccccc3-c3ccccc32)c2cccc(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)c2O4)cc1
InChIInChI=1S/C59H36N4O/c1-2-15-39(16-3-1)56-45-31-32-49-58(55(45)44-19-6-9-24-50(44)63-56)64-57-41(20-14-23-48(57)59(49)46-21-7-4-17-42(46)43-18-5-8-22-47(43)59)38-29-27-37(28-30-38)40-35-53(51-25-10-12-33-60-51)62-54(36-40)52-26-11-13-34-61-52/h1-36H
InChIKeyUMMPSMRBXCIYIP-UHFFFAOYSA-N
MW816.96 g/mol
LogP14.38
Rot. Bonds5

About 13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (PubChem CID 146613361) has the molecular formula C59H36N4O and a molecular weight of 816.96 g/mol. Its IUPAC name is 13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].

Molecular Properties

Compound Name13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
PubChem CID146613361
Molecular FormulaC59H36N4O
Molecular Weight816.96 g/mol
Exact Mass816.29
IUPAC Name13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
SMILESc1ccc(-c2nc3ccccc3c3c4c(ccc23)C2(c3ccccc3-c3ccccc32)c2cccc(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)c2O4)cc1
InChIInChI=1S/C59H36N4O/c1-2-15-39(16-3-1)56-45-31-32-49-58(55(45)44-19-6-9-24-50(44)63-56)64-57-41(20-14-23-48(57)59(49)46-21-7-4-17-42(46)43-18-5-8-22-47(43)59)38-29-27-37(28-30-38)40-35-53(51-25-10-12-33-60-51)62-54(36-40)52-26-11-13-34-61-52/h1-36H
InChIKeyUMMPSMRBXCIYIP-UHFFFAOYSA-N
XLogP14.38
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.96
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?
The IUPAC name of 13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (CID 146613361) is 13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].
What is the SMILES notation for 13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?
The canonical SMILES for 13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is c1ccc(-c2nc3ccccc3c3c4c(ccc23)C2(c3ccccc3-c3ccccc32)c2cccc(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)c2O4)cc1.
What is the InChIKey of 13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?
The InChIKey is UMMPSMRBXCIYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O/c1-2-15-39(16-3-1)56-45-31-32-49-58(55(45)44-19-6-9-24-50(44)63-56)64-57-41(20-14-23-48(57)59(49)46-21-7-4-17-42(46)43-18-5-8-22-47(43)59)38-29-27-37(28-30-38)40-35-53(51-25-10-12-33-60-51)62-54(36-40)52-26-11-13-34-61-52/h1-36H.
What are the key properties of 13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?
13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] has a molecular weight of 816.96 g/mol, XLogP of 14.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is sourced from PubChem (CID 146613361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).