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

C148H111N3S7 — CID 158467826

IUPAC9,9-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
SMILESCC1(C)c2cc(-c3ccc(-c4ccccc4)s3)ccc2N(c2ccc(-c3ccc(-c4ccccc4)s3)cc2)c2ccc(-c3ccc(-c4ccccc4)s3)cc21.CC1(C)c2cc(-c3ccc(-c4ccccc4)s3)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccccc4)s3)cc21.CC1(C)c2ccccc2-c2ccc(N3c4ccc(-c5ccc(-c6ccccc6)s5)cc4C(C)(C)c4cc(-c5ccc(-c6ccccc6)s5)ccc43)cc21
InChIInChI=1S/C51H37NS3.C50H39NS2.C47H35NS2/c1-51(2)41-32-38(49-30-28-46(54-49)35-14-8-4-9-15-35)20-24-43(41)52(40-22-18-37(19-23-40)48-27-26-45(53-48)34-12-6-3-7-13-34)44-25-21-39(33-42(44)51)50-31-29-47(55-50)36-16-10-5-11-17-36;1-49(2)39-18-12-11-17-37(39)38-22-21-36(31-40(38)49)51-43-23-19-34(47-27-25-45(52-47)32-13-7-5-8-14-32)29-41(43)50(3,4)42-30-35(20-24-44(42)51)48-28-26-46(53-48)33-15-9-6-10-16-33;1-47(2)39-30-36(45-28-26-43(49-45)34-14-8-4-9-15-34)20-24-41(39)48(38-22-18-33(19-23-38)32-12-6-3-7-13-32)42-25-21-37(31-40(42)47)46-29-27-44(50-46)35-16-10-5-11-17-35/h3-33H,1-2H3;5-31H,1-4H3;3-31H,1-2H3
InChIKeyHFYWWCYJKDKXSM-UHFFFAOYSA-N
MW2156.01 g/mol
LogP45.13
Rot. Bonds18

About 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

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 (PubChem CID 158467826) has the molecular formula C148H111N3S7 and a molecular weight of 2156.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-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
PubChem CID158467826
Molecular FormulaC148H111N3S7
Molecular Weight2156.01 g/mol
Exact Mass2153.68
IUPAC Name9,9-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
SMILESCC1(C)c2cc(-c3ccc(-c4ccccc4)s3)ccc2N(c2ccc(-c3ccc(-c4ccccc4)s3)cc2)c2ccc(-c3ccc(-c4ccccc4)s3)cc21.CC1(C)c2cc(-c3ccc(-c4ccccc4)s3)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccccc4)s3)cc21.CC1(C)c2ccccc2-c2ccc(N3c4ccc(-c5ccc(-c6ccccc6)s5)cc4C(C)(C)c4cc(-c5ccc(-c6ccccc6)s5)ccc43)cc21
InChIInChI=1S/C51H37NS3.C50H39NS2.C47H35NS2/c1-51(2)41-32-38(49-30-28-46(54-49)35-14-8-4-9-15-35)20-24-43(41)52(40-22-18-37(19-23-40)48-27-26-45(53-48)34-12-6-3-7-13-34)44-25-21-39(33-42(44)51)50-31-29-47(55-50)36-16-10-5-11-17-36;1-49(2)39-18-12-11-17-37(39)38-22-21-36(31-40(38)49)51-43-23-19-34(47-27-25-45(52-47)32-13-7-5-8-14-32)29-41(43)50(3,4)42-30-35(20-24-44(42)51)48-28-26-46(53-48)33-15-9-6-10-16-33;1-47(2)39-30-36(45-28-26-43(49-45)34-14-8-4-9-15-34)20-24-41(39)48(38-22-18-33(19-23-38)32-12-6-3-7-13-32)42-25-21-37(31-40(42)47)46-29-27-44(50-46)35-16-10-5-11-17-35/h3-33H,1-2H3;5-31H,1-4H3;3-31H,1-2H3
InChIKeyHFYWWCYJKDKXSM-UHFFFAOYSA-N
XLogP45.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002156.01
LogP ≤ 545.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 155449285
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
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
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
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
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
10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine
CID 155220844
17-(9,9-dimethylfluoren-2-yl)-1-methyl-13-(4-naphthalen-2-ylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 166803687

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3ccc(-c4ccccc4)s3)ccc2N(c2ccc(-c3ccc(-c4ccccc4)s3)cc2)c2ccc(-c3ccc(-c4ccccc4)s3)cc21.CC1(C)c2cc(-c3ccc(-c4ccccc4)s3)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccccc4)s3)cc21.CC1(C)c2ccccc2-c2ccc(N3c4ccc(-c5ccc(-c6ccccc6)s5)cc4C(C)(C)c4cc(-c5ccc(-c6ccccc6)s5)ccc43)cc21.
What is the InChIKey of 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?
The InChIKey is HFYWWCYJKDKXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NS3.C50H39NS2.C47H35NS2/c1-51(2)41-32-38(49-30-28-46(54-49)35-14-8-4-9-15-35)20-24-43(41)52(40-22-18-37(19-23-40)48-27-26-45(53-48)34-12-6-3-7-13-34)44-25-21-39(33-42(44)51)50-31-29-47(55-50)36-16-10-5-11-17-36;1-49(2)39-18-12-11-17-37(39)38-22-21-36(31-40(38)49)51-43-23-19-34(47-27-25-45(52-47)32-13-7-5-8-14-32)29-41(43)50(3,4)42-30-35(20-24-44(42)51)48-28-26-46(53-48)33-15-9-6-10-16-33;1-47(2)39-30-36(45-28-26-43(49-45)34-14-8-4-9-15-34)20-24-41(39)48(38-22-18-33(19-23-38)32-12-6-3-7-13-32)42-25-21-37(31-40(42)47)46-29-27-44(50-46)35-16-10-5-11-17-35/h3-33H,1-2H3;5-31H,1-4H3;3-31H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2156.01 g/mol, XLogP of 45.13, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158467826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).