N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole

C194H152N10O4S — CID 160523150

IUPACN,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccnc(-c3cccc(Oc4cccc(C5(c6ccccn6)c6ccccc6-c6ccccc65)c4)c3)c2)cc1.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)c2)cc(-c2cc(C(C)(C)C)ccn2)c1.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)c2)cc(-c2nc3ccccc3s2)c1.c1ccc(C2(c3cccc(Oc4cccc(-c5cc(-n6c7ccccc7c7ccccc76)ccn5)c4)c3)c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C55H49N3O.C47H31N3O.C47H40N2O.C45H32N2OS/c1-53(2,3)39-24-28-42(29-25-39)58(43-30-26-40(27-31-43)54(4,5)6)44-32-34-56-51(37-44)38-15-13-17-45(35-38)59-46-18-14-16-41(36-46)55(52-23-11-12-33-57-52)49-21-9-7-19-47(49)48-20-8-10-22-50(48)55;1-5-21-41-37(17-1)38-18-2-6-22-42(38)47(41,46-25-9-10-27-49-46)33-14-12-16-36(30-33)51-35-15-11-13-32(29-35)43-31-34(26-28-48-43)50-44-23-7-3-19-39(44)40-20-4-8-24-45(40)50;1-31-14-12-15-32(2)45(31)34-26-33(43-30-35(23-25-48-43)46(3,4)5)27-38(28-34)50-37-17-13-16-36(29-37)47(44-22-10-11-24-49-44)41-20-8-6-18-39(41)40-19-7-9-21-42(40)47;1-29-13-11-14-30(2)43(29)31-25-32(44-47-40-21-7-8-22-41(40)49-44)27-35(26-31)48-34-16-12-15-33(28-34)45(42-23-9-10-24-46-42)38-19-5-3-17-36(38)37-18-4-6-20-39(37)45/h7-37H,1-6H3;1-31H;6-30H,1-5H3;3-28H,1-2H3
InChIKeyQUNSYJRXQBRXIT-UHFFFAOYSA-N
MW2719.48 g/mol
LogP49.44
Rot. Bonds26

About N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole

N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole (PubChem CID 160523150) has the molecular formula C194H152N10O4S and a molecular weight of 2719.48 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole
PubChem CID160523150
Molecular FormulaC194H152N10O4S
Molecular Weight2719.48 g/mol
Exact Mass2717.17
IUPAC NameN,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccnc(-c3cccc(Oc4cccc(C5(c6ccccn6)c6ccccc6-c6ccccc65)c4)c3)c2)cc1.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)c2)cc(-c2cc(C(C)(C)C)ccn2)c1.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)c2)cc(-c2nc3ccccc3s2)c1.c1ccc(C2(c3cccc(Oc4cccc(-c5cc(-n6c7ccccc7c7ccccc76)ccn5)c4)c3)c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C55H49N3O.C47H31N3O.C47H40N2O.C45H32N2OS/c1-53(2,3)39-24-28-42(29-25-39)58(43-30-26-40(27-31-43)54(4,5)6)44-32-34-56-51(37-44)38-15-13-17-45(35-38)59-46-18-14-16-41(36-46)55(52-23-11-12-33-57-52)49-21-9-7-19-47(49)48-20-8-10-22-50(48)55;1-5-21-41-37(17-1)38-18-2-6-22-42(38)47(41,46-25-9-10-27-49-46)33-14-12-16-36(30-33)51-35-15-11-13-32(29-35)43-31-34(26-28-48-43)50-44-23-7-3-19-39(44)40-20-4-8-24-45(40)50;1-31-14-12-15-32(2)45(31)34-26-33(43-30-35(23-25-48-43)46(3,4)5)27-38(28-34)50-37-17-13-16-36(29-37)47(44-22-10-11-24-49-44)41-20-8-6-18-39(41)40-19-7-9-21-42(40)47;1-29-13-11-14-30(2)43(29)31-25-32(44-47-40-21-7-8-22-41(40)49-44)27-35(26-31)48-34-16-12-15-33(28-34)45(42-23-9-10-24-46-42)38-19-5-3-17-36(38)37-18-4-6-20-39(37)45/h7-37H,1-6H3;1-31H;6-30H,1-5H3;3-28H,1-2H3
InChIKeyQUNSYJRXQBRXIT-UHFFFAOYSA-N
XLogP49.44
TPSA148.21 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002719.48
LogP ≤ 549.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole with MolForge

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Related Compounds

CID 157071809
CID 157071809
2-[5-[3-(9-Pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]-1,3-benzothiazole
CID 157160544
2-[3-[3-(2,7-Ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole
CID 157512660
2-[3-(2,6-Dimethylphenyl)-5-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole
CID 157652473
2-[3-[3-(9-Pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole
CID 157685526
10-([1]benzothiolo[2,3-b]pyrazin-7-yl)-N,N-diphenylspiro[acridine-9,9'-fluorene]-2-amine;10-([1]benzothiolo[2,3-b]pyrazin-7-yl)phenothiazine;10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene];2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzothiolo[2,3-b]pyrazine;7-spiro[acridine-9,9'-fluorene]-10-yl-[1]benzothiolo[2,3-b]pyrazine
CID 157702980
10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)-N,N-diphenylspiro[acridine-9,9'-fluorene]-2-amine;10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)phenothiazine;10-([1]benzoselenolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene];2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzoselenolo[2,3-b]pyrazine;7-spiro[acridine-9,9'-fluorene]-10-yl-[1]benzoselenolo[2,3-b]pyrazine
CID 157801848
3,5-Bis(3-methoxyphenyl)pyridine;3,5-bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;9-(4-methoxyphenyl)carbazole
CID 157808213
2-[6-(4,6-Diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenylquinazoline;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline
CID 157967502
2-[3-[3-(9-Pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole
CID 157973223
N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole
CID 158032253
2-[3-[3-(2,7-Ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole
CID 158249748

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole (CID 160523150) is N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccnc(-c3cccc(Oc4cccc(C5(c6ccccn6)c6ccccc6-c6ccccc65)c4)c3)c2)cc1.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)c2)cc(-c2cc(C(C)(C)C)ccn2)c1.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)c2)cc(-c2nc3ccccc3s2)c1.c1ccc(C2(c3cccc(Oc4cccc(-c5cc(-n6c7ccccc7c7ccccc76)ccn5)c4)c3)c3ccccc3-c3ccccc32)nc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole?
The InChIKey is QUNSYJRXQBRXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H49N3O.C47H31N3O.C47H40N2O.C45H32N2OS/c1-53(2,3)39-24-28-42(29-25-39)58(43-30-26-40(27-31-43)54(4,5)6)44-32-34-56-51(37-44)38-15-13-17-45(35-38)59-46-18-14-16-41(36-46)55(52-23-11-12-33-57-52)49-21-9-7-19-47(49)48-20-8-10-22-50(48)55;1-5-21-41-37(17-1)38-18-2-6-22-42(38)47(41,46-25-9-10-27-49-46)33-14-12-16-36(30-33)51-35-15-11-13-32(29-35)43-31-34(26-28-48-43)50-44-23-7-3-19-39(44)40-20-4-8-24-45(40)50;1-31-14-12-15-32(2)45(31)34-26-33(43-30-35(23-25-48-43)46(3,4)5)27-38(28-34)50-37-17-13-16-36(29-37)47(44-22-10-11-24-49-44)41-20-8-6-18-39(41)40-19-7-9-21-42(40)47;1-29-13-11-14-30(2)43(29)31-25-32(44-47-40-21-7-8-22-41(40)49-44)27-35(26-31)48-34-16-12-15-33(28-34)45(42-23-9-10-24-46-42)38-19-5-3-17-36(38)37-18-4-6-20-39(37)45/h7-37H,1-6H3;1-31H;6-30H,1-5H3;3-28H,1-2H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole?
N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole has a molecular weight of 2719.48 g/mol, XLogP of 49.44, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole is sourced from PubChem (CID 160523150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).