10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine

C54H34F10N2Si — CID 145010410

IUPAC10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)-c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2[Si]3(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2ccccc21
InChIInChI=1S/C54H34F10N2Si/c1-53(2)31-13-5-9-17-35(31)65(36-18-10-6-14-32(36)53)27-21-23-39-29(25-27)30-26-28(66-37-19-11-7-15-33(37)54(3,4)34-16-8-12-20-38(34)66)22-24-40(30)67(39,51-47(61)43(57)41(55)44(58)48(51)62)52-49(63)45(59)42(56)46(60)50(52)64/h5-26H,1-4H3
InChIKeyUIWHBIWLRMNZCF-UHFFFAOYSA-N
MW928.95 g/mol
LogP12.65
Rot. Bonds4

About 10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine

10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine (PubChem CID 145010410) has the molecular formula C54H34F10N2Si and a molecular weight of 928.95 g/mol. Its IUPAC name is 10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine
PubChem CID145010410
Molecular FormulaC54H34F10N2Si
Molecular Weight928.95 g/mol
Exact Mass928.23
IUPAC Name10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)-c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2[Si]3(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2ccccc21
InChIInChI=1S/C54H34F10N2Si/c1-53(2)31-13-5-9-17-35(31)65(36-18-10-6-14-32(36)53)27-21-23-39-29(25-27)30-26-28(66-37-19-11-7-15-33(37)54(3,4)34-16-8-12-20-38(34)66)22-24-40(30)67(39,51-47(61)43(57)41(55)44(58)48(51)62)52-49(63)45(59)42(56)46(60)50(52)64/h5-26H,1-4H3
InChIKeyUIWHBIWLRMNZCF-UHFFFAOYSA-N
XLogP12.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.95
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine
CID 145010304
9',9'-dimethyl-10-(2-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,10'-anthracene]
CID 177278389
9,9-dimethyl-10-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147956721
9,9-dimethyl-10-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147184268
10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine
CID 135130813
3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771897
9',9'-dimethyl-10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,10'-anthracene]
CID 177277982
10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine
CID 153320402
12',12'-dimethyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,5'-tetracene]
CID 177278071
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536

Frequently Asked Questions

What is the IUPAC name of 10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine (CID 145010410) is 10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c(c2)-c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2[Si]3(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2ccccc21.
What is the InChIKey of 10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine?
The InChIKey is UIWHBIWLRMNZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34F10N2Si/c1-53(2)31-13-5-9-17-35(31)65(36-18-10-6-14-32(36)53)27-21-23-39-29(25-27)30-26-28(66-37-19-11-7-15-33(37)54(3,4)34-16-8-12-20-38(34)66)22-24-40(30)67(39,51-47(61)43(57)41(55)44(58)48(51)62)52-49(63)45(59)42(56)46(60)50(52)64/h5-26H,1-4H3.
What are the key properties of 10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine?
10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine has a molecular weight of 928.95 g/mol, XLogP of 12.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine is sourced from PubChem (CID 145010410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).