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

C81H62N4 — CID 58142126

IUPAC10-[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
SMILESCC1c2ccccc2N(c2cc(N3c4ccccc4C(C)c4ccccc43)cc(C3(c4cc(N5c6ccccc6C(C)c6ccccc65)cc(N5c6ccccc6C(C)c6ccccc65)c4)c4ccccc4-c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C81H62N4/c1-51-61-25-7-17-37-73(61)82(74-38-18-8-26-62(51)74)57-45-55(46-58(49-57)83-75-39-19-9-27-63(75)52(2)64-28-10-20-40-76(64)83)81(71-35-15-5-33-69(71)70-34-6-16-36-72(70)81)56-47-59(84-77-41-21-11-29-65(77)53(3)66-30-12-22-42-78(66)84)50-60(48-56)85-79-43-23-13-31-67(79)54(4)68-32-14-24-44-80(68)85/h5-54H,1-4H3
InChIKeyVFJPEUKIQPUJMP-UHFFFAOYSA-N
MW1091.42 g/mol
LogP21.79
Rot. Bonds6

About 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

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 (PubChem CID 58142126) has the molecular formula C81H62N4 and a molecular weight of 1091.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID58142126
Molecular FormulaC81H62N4
Molecular Weight1091.42 g/mol
Exact Mass1090.50
IUPAC Name10-[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
SMILESCC1c2ccccc2N(c2cc(N3c4ccccc4C(C)c4ccccc43)cc(C3(c4cc(N5c6ccccc6C(C)c6ccccc65)cc(N5c6ccccc6C(C)c6ccccc65)c4)c4ccccc4-c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C81H62N4/c1-51-61-25-7-17-37-73(61)82(74-38-18-8-26-62(51)74)57-45-55(46-58(49-57)83-75-39-19-9-27-63(75)52(2)64-28-10-20-40-76(64)83)81(71-35-15-5-33-69(71)70-34-6-16-36-72(70)81)56-47-59(84-77-41-21-11-29-65(77)53(3)66-30-12-22-42-78(66)84)50-60(48-56)85-79-43-23-13-31-67(79)54(4)68-32-14-24-44-80(68)85/h5-54H,1-4H3
InChIKeyVFJPEUKIQPUJMP-UHFFFAOYSA-N
XLogP21.79
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.42
LogP ≤ 521.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene
CID 158465473
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
15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene
CID 142380416
14-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,5,8,10,12,15,17-octaene]-3-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130271564
9,9-diphenylfluorene;methoxymethane
CID 143139467
10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine
CID 155220844
8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140849494
3-methyl-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2,3-dihydroindazole
CID 170539985
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene
CID 170621532

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1c2ccccc2N(c2cc(N3c4ccccc4C(C)c4ccccc43)cc(C3(c4cc(N5c6ccccc6C(C)c6ccccc65)cc(N5c6ccccc6C(C)c6ccccc65)c4)c4ccccc4-c4ccccc43)c2)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is VFJPEUKIQPUJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H62N4/c1-51-61-25-7-17-37-73(61)82(74-38-18-8-26-62(51)74)57-45-55(46-58(49-57)83-75-39-19-9-27-63(75)52(2)64-28-10-20-40-76(64)83)81(71-35-15-5-33-69(71)70-34-6-16-36-72(70)81)56-47-59(84-77-41-21-11-29-65(77)53(3)66-30-12-22-42-78(66)84)50-60(48-56)85-79-43-23-13-31-67(79)54(4)68-32-14-24-44-80(68)85/h5-54H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1091.42 g/mol, XLogP of 21.79, 6 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-methyl-9H-acridin-10-yl)phenyl]fluoren-9-yl]-5-(9-methyl-9H-acridin-10-yl)phenyl]-9-methyl-9H-acridine is sourced from PubChem (CID 58142126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).