7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine

C195H130F2N12O2S — CID 159022330

IUPAC7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine
SMILESCC1(C)c2ccccc2N(c2ccc3c4cc(N5c6ccccc6Sc6ccccc65)ccc4c4ccccc4c3c2)c2ccccc21.N#Cc1cc2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc3c2cc1N1c2ccccc2Oc2ccccc21.[C-]#[N+]c1cc2c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3c2cc1F.[C-]#[N+]c1cc2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3c2cc1F
InChIInChI=1S/C55H32N4O.C49H36FN3.C46H30FN3O.C45H32N2S/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;1-48(2)38-14-6-10-18-44(38)52(45-19-11-7-15-39(45)48)30-22-24-32-33-25-23-31(27-35(33)37-29-43(51-5)42(50)28-36(37)34(32)26-30)53-46-20-12-8-16-40(46)49(3,4)41-17-9-13-21-47(41)53;1-46(2)36-12-4-6-14-40(36)49(41-15-7-5-13-37(41)46)28-20-22-30-32-24-29(50-42-16-8-10-18-44(42)51-45-19-11-9-17-43(45)50)21-23-31(32)35-27-39(48-3)38(47)26-34(35)33(30)25-28;1-45(2)37-15-5-7-17-39(37)46(40-18-8-6-16-38(40)45)29-24-26-34-35(27-29)32-14-4-3-13-31(32)33-25-23-30(28-36(33)34)47-41-19-9-11-21-43(41)48-44-22-12-10-20-42(44)47/h1-32H;6-29H,1-4H3;4-27H,1-2H3;3-28H,1-2H3
InChIKeyJTVVZIRGCSRFMQ-UHFFFAOYSA-N
MW2743.33 g/mol
LogP55.55
Rot. Bonds9

About 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine

7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine (PubChem CID 159022330) has the molecular formula C195H130F2N12O2S and a molecular weight of 2743.33 g/mol. Its IUPAC name is 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine.

Molecular Properties

Compound Name7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine
PubChem CID159022330
Molecular FormulaC195H130F2N12O2S
Molecular Weight2743.33 g/mol
Exact Mass2741.01
IUPAC Name7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine
SMILESCC1(C)c2ccccc2N(c2ccc3c4cc(N5c6ccccc6Sc6ccccc65)ccc4c4ccccc4c3c2)c2ccccc21.N#Cc1cc2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc3c2cc1N1c2ccccc2Oc2ccccc21.[C-]#[N+]c1cc2c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3c2cc1F.[C-]#[N+]c1cc2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3c2cc1F
InChIInChI=1S/C55H32N4O.C49H36FN3.C46H30FN3O.C45H32N2S/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;1-48(2)38-14-6-10-18-44(38)52(45-19-11-7-15-39(45)48)30-22-24-32-33-25-23-31(27-35(33)37-29-43(51-5)42(50)28-36(37)34(32)26-30)53-46-20-12-8-16-40(46)49(3,4)41-17-9-13-21-47(41)53;1-46(2)36-12-4-6-14-40(36)49(41-15-7-5-13-37(41)46)28-20-22-30-32-24-29(50-42-16-8-10-18-44(42)51-45-19-11-9-17-43(45)50)21-23-31(32)35-27-39(48-3)38(47)26-34(35)33(30)25-28;1-45(2)37-15-5-7-17-39(37)46(40-18-8-6-16-38(40)45)29-24-26-34-35(27-29)32-14-4-3-13-31(32)33-25-23-30(28-36(33)34)47-41-19-9-11-21-43(41)48-44-22-12-10-20-42(44)47/h1-32H;6-29H,1-4H3;4-27H,1-2H3;3-28H,1-2H3
InChIKeyJTVVZIRGCSRFMQ-UHFFFAOYSA-N
XLogP55.55
TPSA83.51 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002743.33
LogP ≤ 555.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine with MolForge

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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;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine?
The IUPAC name of 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine (CID 159022330) is 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine.
What is the SMILES notation for 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine?
The canonical SMILES for 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine is CC1(C)c2ccccc2N(c2ccc3c4cc(N5c6ccccc6Sc6ccccc65)ccc4c4ccccc4c3c2)c2ccccc21.N#Cc1cc2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc3c2cc1N1c2ccccc2Oc2ccccc21.[C-]#[N+]c1cc2c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3c2cc1F.[C-]#[N+]c1cc2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3c2cc1F.
What is the InChIKey of 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine?
The InChIKey is JTVVZIRGCSRFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O.C49H36FN3.C46H30FN3O.C45H32N2S/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;1-48(2)38-14-6-10-18-44(38)52(45-19-11-7-15-39(45)48)30-22-24-32-33-25-23-31(27-35(33)37-29-43(51-5)42(50)28-36(37)34(32)26-30)53-46-20-12-8-16-40(46)49(3,4)41-17-9-13-21-47(41)53;1-46(2)36-12-4-6-14-40(36)49(41-15-7-5-13-37(41)46)28-20-22-30-32-24-29(50-42-16-8-10-18-44(42)51-45-19-11-9-17-43(45)50)21-23-31(32)35-27-39(48-3)38(47)26-34(35)33(30)25-28;1-45(2)37-15-5-7-17-39(37)46(40-18-8-6-16-38(40)45)29-24-26-34-35(27-29)32-14-4-3-13-31(32)33-25-23-30(28-36(33)34)47-41-19-9-11-21-43(41)48-44-22-12-10-20-42(44)47/h1-32H;6-29H,1-4H3;4-27H,1-2H3;3-28H,1-2H3.
What are the key properties of 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine?
7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine has a molecular weight of 2743.33 g/mol, XLogP of 55.55, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-di(carbazol-9-yl)-3-phenoxazin-10-yltriphenylene-2-carbonitrile;10-[7-(9,9-dimethylacridin-10-yl)-10-fluoro-11-isocyanotriphenylen-2-yl]-9,9-dimethylacridine;10-[10-(9,9-dimethylacridin-10-yl)-7-fluoro-6-isocyanotriphenylen-2-yl]phenoxazine;10-[10-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]phenothiazine is sourced from PubChem (CID 159022330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).