9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine

C52H38N2 — CID 153463100

IUPAC9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine
SMILESCC1(C)c2ccccc2-c2cccc(C3(c4ccccc4)c4ccccc4N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc43)c21
InChIInChI=1S/C52H38N2/c1-51(2)42-25-11-9-22-38(42)41-24-17-28-45(50(41)51)52(35-18-5-3-6-19-35)43-26-12-15-30-47(43)54(48-31-16-13-27-44(48)52)37-32-33-40-39-23-10-14-29-46(39)53(49(40)34-37)36-20-7-4-8-21-36/h3-34H,1-2H3
InChIKeyRZRKXKGSWYRVFT-UHFFFAOYSA-N
MW690.89 g/mol
LogP13.26
Rot. Bonds4

About 9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine

9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine (PubChem CID 153463100) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine
PubChem CID153463100
Molecular FormulaC52H38N2
Molecular Weight690.89 g/mol
Exact Mass690.30
IUPAC Name9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine
SMILESCC1(C)c2ccccc2-c2cccc(C3(c4ccccc4)c4ccccc4N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc43)c21
InChIInChI=1S/C52H38N2/c1-51(2)42-25-11-9-22-38(42)41-24-17-28-45(50(41)51)52(35-18-5-3-6-19-35)43-26-12-15-30-47(43)54(48-31-16-13-27-44(48)52)37-32-33-40-39-23-10-14-29-46(39)53(49(40)34-37)36-20-7-4-8-21-36/h3-34H,1-2H3
InChIKeyRZRKXKGSWYRVFT-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
10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 146511336
9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine
CID 153463086
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
2-(9-phenylcarbazol-3-yl)-9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole;3-[9-[3-(9-phenylfluoren-9-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-[2-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 159900613
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
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163519733
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
30,30-dimethyl-5-(9-phenylcarbazol-2-yl)-5-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361045
3-[9-(9,9-diphenylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118449506
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine?
The IUPAC name of 9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine (CID 153463100) is 9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine.
What is the SMILES notation for 9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine?
The canonical SMILES for 9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine is CC1(C)c2ccccc2-c2cccc(C3(c4ccccc4)c4ccccc4N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc43)c21.
What is the InChIKey of 9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine?
The InChIKey is RZRKXKGSWYRVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2/c1-51(2)42-25-11-9-22-38(42)41-24-17-28-45(50(41)51)52(35-18-5-3-6-19-35)43-26-12-15-30-47(43)54(48-31-16-13-27-44(48)52)37-32-33-40-39-23-10-14-29-46(39)53(49(40)34-37)36-20-7-4-8-21-36/h3-34H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine?
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-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 9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine is sourced from PubChem (CID 153463100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).