15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide

C50H33N2OP — CID 122486691

IUPAC15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
SMILESCc1nc2cccc3c2n1-c1ccc(-c2c4ccccc4c(-c4ccc5ccccc5c4)c4ccc(-c5ccccc5)cc24)cc1P3(=O)c1ccccc1
InChIInChI=1S/C50H33N2OP/c1-32-51-44-21-12-22-46-50(44)52(32)45-28-26-38(31-47(45)54(46,53)39-17-6-3-7-18-39)49-41-20-11-10-19-40(41)48(37-24-23-34-15-8-9-16-35(34)29-37)42-27-25-36(30-43(42)49)33-13-4-2-5-14-33/h2-31H,1H3
InChIKeyGRLMKPNVCRSBEK-UHFFFAOYSA-N
MW708.80 g/mol
LogP11.75
Rot. Bonds4

About 15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide

15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide (PubChem CID 122486691) has the molecular formula C50H33N2OP and a molecular weight of 708.80 g/mol. Its IUPAC name is 15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide.

Molecular Properties

Compound Name15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
PubChem CID122486691
Molecular FormulaC50H33N2OP
Molecular Weight708.80 g/mol
Exact Mass708.23
IUPAC Name15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
SMILESCc1nc2cccc3c2n1-c1ccc(-c2c4ccccc4c(-c4ccc5ccccc5c4)c4ccc(-c5ccccc5)cc24)cc1P3(=O)c1ccccc1
InChIInChI=1S/C50H33N2OP/c1-32-51-44-21-12-22-46-50(44)52(32)45-28-26-38(31-47(45)54(46,53)39-17-6-3-7-18-39)49-41-20-11-10-19-40(41)48(37-24-23-34-15-8-9-16-35(34)29-37)42-27-25-36(30-43(42)49)33-13-4-2-5-14-33/h2-31H,1H3
InChIKeyGRLMKPNVCRSBEK-UHFFFAOYSA-N
XLogP11.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.80
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide with MolForge

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

Launch Full Analysis

Related Compounds

15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
CID 122486677
5-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-methyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
CID 122486688
4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-4-(4-naphthalen-2-ylphenyl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-4-(6-phenylnaphthalen-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
CID 158993033
5-(10-phenanthren-2-ylanthracen-9-yl)-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
CID 122486787
15-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;8-phenyl-15-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
CID 161184732
8,15-diphenyl-5-(6-phenylnaphthalen-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
CID 122486806
15-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-(9,10-dinaphthalen-2-ylanthracen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-(9,10-diphenylanthracen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
CID 158668664
15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
CID 122486748
15-methyl-5,8-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-methyl-8-phenyl-5-[4-(5-phenylthiophen-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-methyl-8-phenyl-5-pyridin-4-yl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
CID 161238852
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-15-methyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122492692
15-ethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
CID 158790160
5-benzo[h]quinolin-5-yl-15-methyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-fluoranthen-3-yl-15-methyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-methyl-5-phenanthren-9-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-methyl-5-(4-phenanthren-9-ylphenyl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
CID 159836448

Frequently Asked Questions

What is the IUPAC name of 15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?
The IUPAC name of 15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide (CID 122486691) is 15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide.
What is the SMILES notation for 15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?
The canonical SMILES for 15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide is Cc1nc2cccc3c2n1-c1ccc(-c2c4ccccc4c(-c4ccc5ccccc5c4)c4ccc(-c5ccccc5)cc24)cc1P3(=O)c1ccccc1.
What is the InChIKey of 15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?
The InChIKey is GRLMKPNVCRSBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N2OP/c1-32-51-44-21-12-22-46-50(44)52(32)45-28-26-38(31-47(45)54(46,53)39-17-6-3-7-18-39)49-41-20-11-10-19-40(41)48(37-24-23-34-15-8-9-16-35(34)29-37)42-27-25-36(30-43(42)49)33-13-4-2-5-14-33/h2-31H,1H3.
What are the key properties of 15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?
15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide has a molecular weight of 708.80 g/mol, XLogP of 11.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide is sourced from PubChem (CID 122486691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).