9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine

C57H41N3 — CID 140899053

IUPAC9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine
SMILESCC1(C)c2cc(C3(c4cccnc4)c4ccccc4-c4ccccc43)ccc2N(c2ccccc2)c2ccc(C3(c4cccnc4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C57H41N3/c1-55(2)51-34-38(56(40-16-14-32-58-36-40)47-24-10-6-20-43(47)44-21-7-11-25-48(44)56)28-30-53(51)60(42-18-4-3-5-19-42)54-31-29-39(35-52(54)55)57(41-17-15-33-59-37-41)49-26-12-8-22-45(49)46-23-9-13-27-50(46)57/h3-37H,1-2H3
InChIKeyGEKYEKLEKOACRA-UHFFFAOYSA-N
MW767.98 g/mol
LogP13.31
Rot. Bonds5

About 9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine

9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine (PubChem CID 140899053) has the molecular formula C57H41N3 and a molecular weight of 767.98 g/mol. Its IUPAC name is 9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine
PubChem CID140899053
Molecular FormulaC57H41N3
Molecular Weight767.98 g/mol
Exact Mass767.33
IUPAC Name9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine
SMILESCC1(C)c2cc(C3(c4cccnc4)c4ccccc4-c4ccccc43)ccc2N(c2ccccc2)c2ccc(C3(c4cccnc4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C57H41N3/c1-55(2)51-34-38(56(40-16-14-32-58-36-40)47-24-10-6-20-43(47)44-21-7-11-25-48(44)56)28-30-53(51)60(42-18-4-3-5-19-42)54-31-29-39(35-52(54)55)57(41-17-15-33-59-37-41)49-26-12-8-22-45(49)46-23-9-13-27-50(46)57/h3-37H,1-2H3
InChIKeyGEKYEKLEKOACRA-UHFFFAOYSA-N
XLogP13.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.98
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine
CID 155273596
10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine
CID 167214648
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
9,9-dimethyl-N-naphthalen-2-yl-10-phenyl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)acridin-2-amine
CID 167214913
10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]
CID 140899042
5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide
CID 140898984
9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine
CID 162115764
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142
9,9-dimethyl-10-phenyl-2-[9-(4-pyridin-3-ylsulfonylphenyl)fluoren-9-yl]acridine;bis(9-(4-diphenylphosphorylphenyl)-9-(9-phenylcarbazol-3-yl)indeno[2,1-b]pyridine);5-(4-diphenylphosphorylphenyl)-5-(9-phenylcarbazol-3-yl)indeno[1,2-c]pyridine
CID 157468950
[4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane
CID 155372326
10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 146511336

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine?
The IUPAC name of 9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine (CID 140899053) is 9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine.
What is the SMILES notation for 9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine?
The canonical SMILES for 9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine is CC1(C)c2cc(C3(c4cccnc4)c4ccccc4-c4ccccc43)ccc2N(c2ccccc2)c2ccc(C3(c4cccnc4)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine?
The InChIKey is GEKYEKLEKOACRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N3/c1-55(2)51-34-38(56(40-16-14-32-58-36-40)47-24-10-6-20-43(47)44-21-7-11-25-48(44)56)28-30-53(51)60(42-18-4-3-5-19-42)54-31-29-39(35-52(54)55)57(41-17-15-33-59-37-41)49-26-12-8-22-45(49)46-23-9-13-27-50(46)57/h3-37H,1-2H3.
What are the key properties of 9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine?
9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine has a molecular weight of 767.98 g/mol, XLogP of 13.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine is sourced from PubChem (CID 140899053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).