10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine

C54H34N2 — CID 122413651

IUPAC10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine
SMILESc1ccc2c(c1)C(=C1c3ccccc3N(c3cccc4c3ccc3ccccc34)c3ccccc31)c1ccccc1N2c1cccc2c1ccc1ccccc12
InChIInChI=1S/C54H34N2/c1-3-17-37-35(15-1)31-33-41-39(37)23-13-29-47(41)55-49-25-9-5-19-43(49)53(44-20-6-10-26-50(44)55)54-45-21-7-11-27-51(45)56(52-28-12-8-22-46(52)54)48-30-14-24-40-38-18-4-2-16-36(38)32-34-42(40)48/h1-34H
InChIKeyCNFLHWKNSASVGL-UHFFFAOYSA-N
MW710.88 g/mol
LogP14.87
Rot. Bonds2

About 10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine

10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine (PubChem CID 122413651) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine.

Molecular Properties

Compound Name10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine
PubChem CID122413651
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC Name10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine
SMILESc1ccc2c(c1)C(=C1c3ccccc3N(c3cccc4c3ccc3ccccc34)c3ccccc31)c1ccccc1N2c1cccc2c1ccc1ccccc12
InChIInChI=1S/C54H34N2/c1-3-17-37-35(15-1)31-33-41-39(37)23-13-29-47(41)55-49-25-9-5-19-43(49)53(44-20-6-10-26-50(44)55)54-45-21-7-11-27-51(45)56(52-28-12-8-22-46(52)54)48-30-14-24-40-38-18-4-2-16-36(38)32-34-42(40)48/h1-34H
InChIKeyCNFLHWKNSASVGL-UHFFFAOYSA-N
XLogP14.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-picen-2-ylpicene
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phenanthrene;pyrene;triphenylene
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undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene
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Frequently Asked Questions

What is the IUPAC name of 10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine?
The IUPAC name of 10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine (CID 122413651) is 10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine.
What is the SMILES notation for 10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine?
The canonical SMILES for 10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine is c1ccc2c(c1)C(=C1c3ccccc3N(c3cccc4c3ccc3ccccc34)c3ccccc31)c1ccccc1N2c1cccc2c1ccc1ccccc12.
What is the InChIKey of 10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine?
The InChIKey is CNFLHWKNSASVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-3-17-37-35(15-1)31-33-41-39(37)23-13-29-47(41)55-49-25-9-5-19-43(49)53(44-20-6-10-26-50(44)55)54-45-21-7-11-27-51(45)56(52-28-12-8-22-46(52)54)48-30-14-24-40-38-18-4-2-16-36(38)32-34-42(40)48/h1-34H.
What are the key properties of 10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine?
10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine has a molecular weight of 710.88 g/mol, XLogP of 14.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenanthren-1-yl-9-(10-phenanthren-1-ylacridin-9-ylidene)acridine is sourced from PubChem (CID 122413651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).