10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine

C52H38N2 — CID 146511336

IUPAC10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
SMILESCC1(C)c2ccccc2-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc43)cc21
InChIInChI=1S/C52H38N2/c1-51(2)43-23-11-9-21-39(43)40-31-30-38(34-46(40)51)54-49-27-15-12-24-44(49)52(35-17-5-3-6-18-35,45-25-13-16-28-50(45)54)36-29-32-48-42(33-36)41-22-10-14-26-47(41)53(48)37-19-7-4-8-20-37/h3-34H,1-2H3
InChIKeyTXPQZKULTZAEMF-UHFFFAOYSA-N
MW690.89 g/mol
LogP13.26
Rot. Bonds4

About 10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine

10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine (PubChem CID 146511336) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
PubChem CID146511336
Molecular FormulaC52H38N2
Molecular Weight690.89 g/mol
Exact Mass690.30
IUPAC Name10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
SMILESCC1(C)c2ccccc2-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc43)cc21
InChIInChI=1S/C52H38N2/c1-51(2)43-23-11-9-21-39(43)40-31-30-38(34-46(40)51)54-49-27-15-12-24-44(49)52(35-17-5-3-6-18-35,45-25-13-16-28-50(45)54)36-29-32-48-42(33-36)41-22-10-14-26-47(41)53(48)37-19-7-4-8-20-37/h3-34H,1-2H3
InChIKeyTXPQZKULTZAEMF-UHFFFAOYSA-N
XLogP13.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.89
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-3-yl)acridine
CID 153463090
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine
CID 153463100
10,10,21,21-tetramethyl-14-(9-phenylcarbazol-3-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130450658
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264404
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole
CID 162026936
3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole
CID 167052712
9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine
CID 153463086
N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine
CID 162022075
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 157226629
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-diphenylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158107407

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine?
The IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine (CID 146511336) is 10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine.
What is the SMILES notation for 10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine?
The canonical SMILES for 10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine is CC1(C)c2ccccc2-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc43)cc21.
What is the InChIKey of 10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine?
The InChIKey is TXPQZKULTZAEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2/c1-51(2)43-23-11-9-21-39(43)40-31-30-38(34-46(40)51)54-49-27-15-12-24-44(49)52(35-17-5-3-6-18-35,45-25-13-16-28-50(45)54)36-29-32-48-42(33-36)41-22-10-14-26-47(41)53(48)37-19-7-4-8-20-37/h3-34H,1-2H3.
What are the key properties of 10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine?
10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine has a molecular weight of 690.89 g/mol, XLogP of 13.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine is sourced from PubChem (CID 146511336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).