3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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

C46H33N2OP — CID 122487015

IUPAC3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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
SMILESCCc1nc2cccc3c2n1-c1c(-c2ccc4c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cccc1P3(=O)c1ccccc1
InChIInChI=1S/C46H33N2OP/c1-2-43-47-40-25-15-27-42-45(40)48(43)44-35(23-14-26-41(44)50(42,49)34-20-10-5-11-21-34)31-28-29-37-36-22-12-13-24-38(36)46(39(37)30-31,32-16-6-3-7-17-32)33-18-8-4-9-19-33/h3-30H,2H2,1H3
InChIKeyCVNXPWVPMWHTTK-UHFFFAOYSA-N
MW660.76 g/mol
LogP9.57
Rot. Bonds5

About 3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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

3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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 (PubChem CID 122487015) has the molecular formula C46H33N2OP and a molecular weight of 660.76 g/mol. Its IUPAC name is 3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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.

Molecular Properties

Compound Name3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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
PubChem CID122487015
Molecular FormulaC46H33N2OP
Molecular Weight660.76 g/mol
Exact Mass660.23
IUPAC Name3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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
SMILESCCc1nc2cccc3c2n1-c1c(-c2ccc4c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cccc1P3(=O)c1ccccc1
InChIInChI=1S/C46H33N2OP/c1-2-43-47-40-25-15-27-42-45(40)48(43)44-35(23-14-26-41(44)50(42,49)34-20-10-5-11-21-34)31-28-29-37-36-22-12-13-24-38(36)46(39(37)30-31,32-16-6-3-7-17-32)33-18-8-4-9-19-33/h3-30H,2H2,1H3
InChIKeyCVNXPWVPMWHTTK-UHFFFAOYSA-N
XLogP9.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.76
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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 with MolForge

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Related Compounds

CID 122486761
CID 122486761
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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 122486993
8-phenyl-15-(9,9'-spirobi[fluorene]-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 122486859
15-ethyl-8-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122493043
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
3-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-ethyl-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 122487000
CID 160614741
CID 160614741
4-(3,5-diphenylphenyl)-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
CID 122486975
15-ethyl-4-(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 122486944
7-[10-(15-ethyl-8-oxo-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl)anthracen-9-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 122486740
15-ethyl-8-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 135242468
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

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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?
The IUPAC name of 3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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 122487015) is 3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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.
What is the SMILES notation for 3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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?
The canonical SMILES for 3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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 is CCc1nc2cccc3c2n1-c1c(-c2ccc4c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cccc1P3(=O)c1ccccc1.
What is the InChIKey of 3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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?
The InChIKey is CVNXPWVPMWHTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N2OP/c1-2-43-47-40-25-15-27-42-45(40)48(43)44-35(23-14-26-41(44)50(42,49)34-20-10-5-11-21-34)31-28-29-37-36-22-12-13-24-38(36)46(39(37)30-31,32-16-6-3-7-17-32)33-18-8-4-9-19-33/h3-30H,2H2,1H3.
What are the key properties of 3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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?
3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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 has a molecular weight of 660.76 g/mol, XLogP of 9.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-diphenylfluoren-2-yl)-15-ethyl-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 is sourced from PubChem (CID 122487015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).