7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile

C55H32N4O — CID 121475649

IUPAC7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile
SMILESN#Cc1cc2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc3c2cc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C55H32N4O/c56-33-34-29-43-37-27-25-35(57-47-17-5-1-13-39(47)40-14-2-6-18-48(40)57)30-44(37)45-31-36(58-49-19-7-3-15-41(49)42-16-4-8-20-50(42)58)26-28-38(45)46(43)32-53(34)59-51-21-9-11-23-54(51)60-55-24-12-10-22-52(55)59/h1-32H
InChIKeyHLNIOXVQVBRCNR-UHFFFAOYSA-N
MW764.89 g/mol
LogP14.79
Rot. Bonds3

About 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile

7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile (PubChem CID 121475649) has the molecular formula C55H32N4O and a molecular weight of 764.89 g/mol. Its IUPAC name is 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile.

Molecular Properties

Compound Name7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile
PubChem CID121475649
Molecular FormulaC55H32N4O
Molecular Weight764.89 g/mol
Exact Mass764.26
IUPAC Name7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile
SMILESN#Cc1cc2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc3c2cc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C55H32N4O/c56-33-34-29-43-37-27-25-35(57-47-17-5-1-13-39(47)40-14-2-6-18-48(40)57)30-44(37)45-31-36(58-49-19-7-3-15-41(49)42-16-4-8-20-50(42)58)26-28-38(45)46(43)32-53(34)59-51-21-9-11-23-54(51)60-55-24-12-10-22-52(55)59/h1-32H
InChIKeyHLNIOXVQVBRCNR-UHFFFAOYSA-N
XLogP14.79
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.89
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile?
The IUPAC name of 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile (CID 121475649) is 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile.
What is the SMILES notation for 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile?
The canonical SMILES for 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile is N#Cc1cc2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc3c2cc1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile?
The InChIKey is HLNIOXVQVBRCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O/c56-33-34-29-43-37-27-25-35(57-47-17-5-1-13-39(47)40-14-2-6-18-48(40)57)30-44(37)45-31-36(58-49-19-7-3-15-41(49)42-16-4-8-20-50(42)58)26-28-38(45)46(43)32-53(34)59-51-21-9-11-23-54(51)60-55-24-12-10-22-52(55)59/h1-32H.
What are the key properties of 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile?
7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile has a molecular weight of 764.89 g/mol, XLogP of 14.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile is sourced from PubChem (CID 121475649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).