6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide

C102H70N6O2P2 — CID 154599593

IUPAC6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2N(c2ccc(P3(=O)c4cccc5c4-c4c3cccc4P5(=O)c3ccc(N4c5ccc(-n6c7ccccc7c7ccccc76)cc5C(C)(C)c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C102H70N6O2P2/c1-101(2)79-59-65(105-83-31-13-5-23-71(83)72-24-6-14-32-84(72)105)47-55-91(79)103(92-56-48-66(60-80(92)101)106-85-33-15-7-25-73(85)74-26-8-16-34-86(74)106)63-43-51-69(52-44-63)111(109)95-39-21-41-97-99(95)100-96(111)40-22-42-98(100)112(97,110)70-53-45-64(46-54-70)104-93-57-49-67(107-87-35-17-9-27-75(87)76-28-10-18-36-88(76)107)61-81(93)102(3,4)82-62-68(50-58-94(82)104)108-89-37-19-11-29-77(89)78-30-12-20-38-90(78)108/h5-62H,1-4H3
InChIKeyRWYRGNPRZCDXMI-UHFFFAOYSA-N
MW1473.67 g/mol
LogP23.87
Rot. Bonds8

About 6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide

6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide (PubChem CID 154599593) has the molecular formula C102H70N6O2P2 and a molecular weight of 1473.67 g/mol. Its IUPAC name is 6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide.

Molecular Properties

Compound Name6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
PubChem CID154599593
Molecular FormulaC102H70N6O2P2
Molecular Weight1473.67 g/mol
Exact Mass1472.50
IUPAC Name6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2N(c2ccc(P3(=O)c4cccc5c4-c4c3cccc4P5(=O)c3ccc(N4c5ccc(-n6c7ccccc7c7ccccc76)cc5C(C)(C)c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C102H70N6O2P2/c1-101(2)79-59-65(105-83-31-13-5-23-71(83)72-24-6-14-32-84(72)105)47-55-91(79)103(92-56-48-66(60-80(92)101)106-85-33-15-7-25-73(85)74-26-8-16-34-86(74)106)63-43-51-69(52-44-63)111(109)95-39-21-41-97-99(95)100-96(111)40-22-42-98(100)112(97,110)70-53-45-64(46-54-70)104-93-57-49-67(107-87-35-17-9-27-75(87)76-28-10-18-36-88(76)107)61-81(93)102(3,4)82-62-68(50-58-94(82)104)108-89-37-19-11-29-77(89)78-30-12-20-38-90(78)108/h5-62H,1-4H3
InChIKeyRWYRGNPRZCDXMI-UHFFFAOYSA-N
XLogP23.87
TPSA60.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001473.67
LogP ≤ 523.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide with MolForge

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Related Compounds

2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine
CID 137469791
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
3-(3-carbazol-9-ylphenyl)-6,14-diphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
CID 154599594
6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
CID 154599606
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
2,8-di(carbazol-9-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenophosphazinine 10-oxide;10-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenophosphazinine 10-oxide;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(3-pyridin-3-ylphenyl)phenophosphazinine 10-oxide;10-phenyl-5-(3-pyridin-3-ylphenyl)phenophosphazinine 10-oxide
CID 159948253
17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene
CID 134428385
12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310803
6-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
CID 154599609
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310256
3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide
CID 164736553

Frequently Asked Questions

What is the IUPAC name of 6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide?
The IUPAC name of 6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide (CID 154599593) is 6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide.
What is the SMILES notation for 6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide?
The canonical SMILES for 6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide is CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2N(c2ccc(P3(=O)c4cccc5c4-c4c3cccc4P5(=O)c3ccc(N4c5ccc(-n6c7ccccc7c7ccccc76)cc5C(C)(C)c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide?
The InChIKey is RWYRGNPRZCDXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H70N6O2P2/c1-101(2)79-59-65(105-83-31-13-5-23-71(83)72-24-6-14-32-84(72)105)47-55-91(79)103(92-56-48-66(60-80(92)101)106-85-33-15-7-25-73(85)74-26-8-16-34-86(74)106)63-43-51-69(52-44-63)111(109)95-39-21-41-97-99(95)100-96(111)40-22-42-98(100)112(97,110)70-53-45-64(46-54-70)104-93-57-49-67(107-87-35-17-9-27-75(87)76-28-10-18-36-88(76)107)61-81(93)102(3,4)82-62-68(50-58-94(82)104)108-89-37-19-11-29-77(89)78-30-12-20-38-90(78)108/h5-62H,1-4H3.
What are the key properties of 6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide?
6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide has a molecular weight of 1473.67 g/mol, XLogP of 23.87, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide is sourced from PubChem (CID 154599593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).