4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline

C52H40N2 — CID 167214969

IUPAC4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C52H40N2/c1-51(2)47-28-16-17-29-49(47)54(42-33-31-41(32-34-42)53(39-20-8-4-9-21-39)40-22-10-5-11-23-40)50-35-30-38(36-48(50)51)52(37-18-6-3-7-19-37)45-26-14-12-24-43(45)44-25-13-15-27-46(44)52/h3-36H,1-2H3
InChIKeyABHLYOLKJBKYAQ-UHFFFAOYSA-N
MW692.91 g/mol
LogP13.63
Rot. Bonds6

About 4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline

4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline (PubChem CID 167214969) has the molecular formula C52H40N2 and a molecular weight of 692.91 g/mol. Its IUPAC name is 4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
PubChem CID167214969
Molecular FormulaC52H40N2
Molecular Weight692.91 g/mol
Exact Mass692.32
IUPAC Name4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C52H40N2/c1-51(2)47-28-16-17-29-49(47)54(42-33-31-41(32-34-42)53(39-20-8-4-9-21-39)40-22-10-5-11-23-40)50-35-30-38(36-48(50)51)52(37-18-6-3-7-19-37)45-26-14-12-24-43(45)44-25-13-15-27-46(44)52/h3-36H,1-2H3
InChIKeyABHLYOLKJBKYAQ-UHFFFAOYSA-N
XLogP13.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.91
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine
CID 167214648
9,9-dimethyl-N-naphthalen-2-yl-10-phenyl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)acridin-2-amine
CID 167214913
10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 167334118
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240
N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 168750612
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,10-diphenylacridin-3-amine
CID 121258957
10,10-dimethyl-N,N,14-triphenylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-21,9'-fluorene]-18-amine
CID 166844469
9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine
CID 140899053
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine
CID 90268451

Frequently Asked Questions

What is the IUPAC name of 4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline (CID 167214969) is 4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline is CC1(C)c2ccccc2N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline?
The InChIKey is ABHLYOLKJBKYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2/c1-51(2)47-28-16-17-29-49(47)54(42-33-31-41(32-34-42)53(39-20-8-4-9-21-39)40-22-10-5-11-23-40)50-35-30-38(36-48(50)51)52(37-18-6-3-7-19-37)45-26-14-12-24-43(45)44-25-13-15-27-46(44)52/h3-36H,1-2H3.
What are the key properties of 4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline?
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline has a molecular weight of 692.91 g/mol, XLogP of 13.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline is sourced from PubChem (CID 167214969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).