10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine

C93H86N4 — CID 58142092

IUPAC10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine
SMILESCCC1(CC)c2ccccc2N(c2cc(N3c4ccccc4C(CC)(CC)c4ccccc43)cc(C3(c4cc(N5c6ccccc6C(CC)(CC)c6ccccc65)cc(N5c6ccccc6C(CC)(CC)c6ccccc65)c4)c4ccccc4-c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C93H86N4/c1-9-89(10-2)73-41-21-29-49-81(73)94(82-50-30-22-42-74(82)89)65-57-63(58-66(61-65)95-83-51-31-23-43-75(83)90(11-3,12-4)76-44-24-32-52-84(76)95)93(71-39-19-17-37-69(71)70-38-18-20-40-72(70)93)64-59-67(96-85-53-33-25-45-77(85)91(13-5,14-6)78-46-26-34-54-86(78)96)62-68(60-64)97-87-55-35-27-47-79(87)92(15-7,16-8)80-48-28-36-56-88(80)97/h17-62H,9-16H2,1-8H3
InChIKeyPJLPQKNYZWBYJD-UHFFFAOYSA-N
MW1259.74 g/mol
LogP25.61
Rot. Bonds14

About 10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine

10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine (PubChem CID 58142092) has the molecular formula C93H86N4 and a molecular weight of 1259.74 g/mol. Its IUPAC name is 10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine.

Molecular Properties

Compound Name10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine
PubChem CID58142092
Molecular FormulaC93H86N4
Molecular Weight1259.74 g/mol
Exact Mass1258.69
IUPAC Name10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine
SMILESCCC1(CC)c2ccccc2N(c2cc(N3c4ccccc4C(CC)(CC)c4ccccc43)cc(C3(c4cc(N5c6ccccc6C(CC)(CC)c6ccccc65)cc(N5c6ccccc6C(CC)(CC)c6ccccc65)c4)c4ccccc4-c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C93H86N4/c1-9-89(10-2)73-41-21-29-49-81(73)94(82-50-30-22-42-74(82)89)65-57-63(58-66(61-65)95-83-51-31-23-43-75(83)90(11-3,12-4)76-44-24-32-52-84(76)95)93(71-39-19-17-37-69(71)70-38-18-20-40-72(70)93)64-59-67(96-85-53-33-25-45-77(85)91(13-5,14-6)78-46-26-34-54-86(78)96)62-68(60-64)97-87-55-35-27-47-79(87)92(15-7,16-8)80-48-28-36-56-88(80)97/h17-62H,9-16H2,1-8H3
InChIKeyPJLPQKNYZWBYJD-UHFFFAOYSA-N
XLogP25.61
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001259.74
LogP ≤ 525.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine with MolForge

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Related Compounds

10-[3-[9-[3,5-bis(9-methyl-9H-acridin-10-yl)phenyl]fluoren-9-yl]-5-(9-methyl-9H-acridin-10-yl)phenyl]-9-methyl-9H-acridine
CID 58142126
5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine
CID 58142012
10-(3,5-diphenylphenyl)-9-ethyl-9-propylacridine
CID 71221383
9,9-diphenylfluorene;propane
CID 158205050
9,9-diethylfluoren-2-ol
CID 163996675
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine
CID 89074953
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
10-ethylspiro[acridine-9,9'-fluorene]
CID 118231831
14-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130262419
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761

Frequently Asked Questions

What is the IUPAC name of 10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine?
The IUPAC name of 10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine (CID 58142092) is 10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine.
What is the SMILES notation for 10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine?
The canonical SMILES for 10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine is CCC1(CC)c2ccccc2N(c2cc(N3c4ccccc4C(CC)(CC)c4ccccc43)cc(C3(c4cc(N5c6ccccc6C(CC)(CC)c6ccccc65)cc(N5c6ccccc6C(CC)(CC)c6ccccc65)c4)c4ccccc4-c4ccccc43)c2)c2ccccc21.
What is the InChIKey of 10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine?
The InChIKey is PJLPQKNYZWBYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H86N4/c1-9-89(10-2)73-41-21-29-49-81(73)94(82-50-30-22-42-74(82)89)65-57-63(58-66(61-65)95-83-51-31-23-43-75(83)90(11-3,12-4)76-44-24-32-52-84(76)95)93(71-39-19-17-37-69(71)70-38-18-20-40-72(70)93)64-59-67(96-85-53-33-25-45-77(85)91(13-5,14-6)78-46-26-34-54-86(78)96)62-68(60-64)97-87-55-35-27-47-79(87)92(15-7,16-8)80-48-28-36-56-88(80)97/h17-62H,9-16H2,1-8H3.
What are the key properties of 10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine?
10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine has a molecular weight of 1259.74 g/mol, XLogP of 25.61, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine is sourced from PubChem (CID 58142092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).