10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine

C53H41N — CID 155220844

IUPAC10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine
SMILESCC1c2cc(-c3ccc(-c4ccccc4)cc3)ccc2N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc(-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C53H41N/c1-35-47-32-40(38-24-22-37(23-25-38)36-14-6-4-7-15-36)26-30-51(47)54(42-28-29-46-45-20-12-13-21-49(45)53(2,3)50(46)34-42)52-31-27-41(33-48(35)52)44-19-11-10-18-43(44)39-16-8-5-9-17-39/h4-35H,1-3H3
InChIKeyIKXXQVPRPOXNON-UHFFFAOYSA-N
MW691.92 g/mol
LogP14.60
Rot. Bonds5

About 10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine

10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine (PubChem CID 155220844) has the molecular formula C53H41N and a molecular weight of 691.92 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine
PubChem CID155220844
Molecular FormulaC53H41N
Molecular Weight691.92 g/mol
Exact Mass691.32
IUPAC Name10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine
SMILESCC1c2cc(-c3ccc(-c4ccccc4)cc3)ccc2N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc(-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C53H41N/c1-35-47-32-40(38-24-22-37(23-25-38)36-14-6-4-7-15-36)26-30-51(47)54(42-28-29-46-45-20-12-13-21-49(45)53(2,3)50(46)34-42)52-31-27-41(33-48(35)52)44-19-11-10-18-43(44)39-16-8-5-9-17-39/h4-35H,1-3H3
InChIKeyIKXXQVPRPOXNON-UHFFFAOYSA-N
XLogP14.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.92
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

12,27-bis(9,9-dimethylfluoren-2-yl)-12,27-diazaheptacyclo[26.2.2.28,11.213,16.223,26.02,7.017,22]octatriaconta-1(30),2,4,6,8(38),9,11(37),13(36),14,16(35),17,19,21,23,25,28,31,33-octadecaene
CID 121263135
14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130439455
8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene
CID 176747791
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
9,9-dimethyl-2,7-bis(5-phenylthiophen-2-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]acridine;10-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2,7-bis(5-phenylthiophen-2-yl)acridine;9,9-dimethyl-10-(4-phenylphenyl)-2,7-bis(5-phenylthiophen-2-yl)acridine
CID 158467826
10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 158973199
10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 122659751
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene
CID 169132206
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine?
The IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine (CID 155220844) is 10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine.
What is the SMILES notation for 10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine?
The canonical SMILES for 10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine is CC1c2cc(-c3ccc(-c4ccccc4)cc3)ccc2N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc(-c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine?
The InChIKey is IKXXQVPRPOXNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41N/c1-35-47-32-40(38-24-22-37(23-25-38)36-14-6-4-7-15-36)26-30-51(47)54(42-28-29-46-45-20-12-13-21-49(45)53(2,3)50(46)34-42)52-31-27-41(33-48(35)52)44-19-11-10-18-43(44)39-16-8-5-9-17-39/h4-35H,1-3H3.
What are the key properties of 10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine?
10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine has a molecular weight of 691.92 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine is sourced from PubChem (CID 155220844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).