1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline

C203H164N8S8 — CID 160748751

IUPAC1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(C)s7)cc6)cc5)cc4)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(-c5ccc(C)s5)cc4)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccc(-c6ccc(C)s6)cc5)ccc3-4)cc2)s1.Cc1sc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6sc(C)c(C)c6C)cc5)cc4)cc3)cc2)c(C)c1C
InChIInChI=1S/C62H52N2S2.C52H40N2S2.C49H40N2S2.C40H32N2S2/c1-41-43(3)61(65-45(41)5)53-25-37-59(38-26-53)63(55-29-17-49(18-30-55)47-13-9-7-10-14-47)57-33-21-51(22-34-57)52-23-35-58(36-24-52)64(56-31-19-50(20-32-56)48-15-11-8-12-16-48)60-39-27-54(28-40-60)62-44(4)42(2)46(6)66-62;1-37-13-35-51(55-37)43-23-31-49(32-24-43)53(45-9-5-3-6-10-45)47-27-19-41(20-28-47)39-15-17-40(18-16-39)42-21-29-48(30-22-42)54(46-11-7-4-8-12-46)50-33-25-44(26-34-50)52-36-14-38(2)56-52;1-33-15-29-47(52-33)35-17-21-39(22-18-35)50(37-11-7-5-8-12-37)41-25-27-43-44-28-26-42(32-46(44)49(3,4)45(43)31-41)51(38-13-9-6-10-14-38)40-23-19-36(20-24-40)48-30-16-34(2)53-48;1-29-13-27-39(43-29)31-15-19-35(20-16-31)41(33-9-5-3-6-10-33)37-23-25-38(26-24-37)42(34-11-7-4-8-12-34)36-21-17-32(18-22-36)40-28-14-30(2)44-40/h7-40H,1-6H3;3-36H,1-2H3;5-32H,1-4H3;3-28H,1-2H3
InChIKeyRWNMUOPEWFUZQI-UHFFFAOYSA-N
MW2972.14 g/mol
LogP62.68
Rot. Bonds37

About 1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline

1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline (PubChem CID 160748751) has the molecular formula C203H164N8S8 and a molecular weight of 2972.14 g/mol. Its IUPAC name is 1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline.

Molecular Properties

Compound Name1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline
PubChem CID160748751
Molecular FormulaC203H164N8S8
Molecular Weight2972.14 g/mol
Exact Mass2969.08
IUPAC Name1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(C)s7)cc6)cc5)cc4)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(-c5ccc(C)s5)cc4)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccc(-c6ccc(C)s6)cc5)ccc3-4)cc2)s1.Cc1sc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6sc(C)c(C)c6C)cc5)cc4)cc3)cc2)c(C)c1C
InChIInChI=1S/C62H52N2S2.C52H40N2S2.C49H40N2S2.C40H32N2S2/c1-41-43(3)61(65-45(41)5)53-25-37-59(38-26-53)63(55-29-17-49(18-30-55)47-13-9-7-10-14-47)57-33-21-51(22-34-57)52-23-35-58(36-24-52)64(56-31-19-50(20-32-56)48-15-11-8-12-16-48)60-39-27-54(28-40-60)62-44(4)42(2)46(6)66-62;1-37-13-35-51(55-37)43-23-31-49(32-24-43)53(45-9-5-3-6-10-45)47-27-19-41(20-28-47)39-15-17-40(18-16-39)42-21-29-48(30-22-42)54(46-11-7-4-8-12-46)50-33-25-44(26-34-50)52-36-14-38(2)56-52;1-33-15-29-47(52-33)35-17-21-39(22-18-35)50(37-11-7-5-8-12-37)41-25-27-43-44-28-26-42(32-46(44)49(3,4)45(43)31-41)51(38-13-9-6-10-14-38)40-23-19-36(20-24-40)48-30-16-34(2)53-48;1-29-13-27-39(43-29)31-15-19-35(20-16-31)41(33-9-5-3-6-10-33)37-23-25-38(26-24-37)42(34-11-7-4-8-12-34)36-21-17-32(18-22-36)40-28-14-30(2)44-40/h7-40H,1-6H3;3-36H,1-2H3;5-32H,1-4H3;3-28H,1-2H3
InChIKeyRWNMUOPEWFUZQI-UHFFFAOYSA-N
XLogP62.68
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds37
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002972.14
LogP ≤ 562.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[5-[5-[5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 102025534
2-N',2-N',7-N',7-N'-tetrakis[4-(3,4,5-trimethylthiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 90057821
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59469925
N-[4-[5-[5-[5-[5-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139939126
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58939361
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline?
The IUPAC name of 1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline (CID 160748751) is 1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline.
What is the SMILES notation for 1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline?
The canonical SMILES for 1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline is Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(C)s7)cc6)cc5)cc4)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(-c5ccc(C)s5)cc4)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccc(-c6ccc(C)s6)cc5)ccc3-4)cc2)s1.Cc1sc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6sc(C)c(C)c6C)cc5)cc4)cc3)cc2)c(C)c1C.
What is the InChIKey of 1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline?
The InChIKey is RWNMUOPEWFUZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N2S2.C52H40N2S2.C49H40N2S2.C40H32N2S2/c1-41-43(3)61(65-45(41)5)53-25-37-59(38-26-53)63(55-29-17-49(18-30-55)47-13-9-7-10-14-47)57-33-21-51(22-34-57)52-23-35-58(36-24-52)64(56-31-19-50(20-32-56)48-15-11-8-12-16-48)60-39-27-54(28-40-60)62-44(4)42(2)46(6)66-62;1-37-13-35-51(55-37)43-23-31-49(32-24-43)53(45-9-5-3-6-10-45)47-27-19-41(20-28-47)39-15-17-40(18-16-39)42-21-29-48(30-22-42)54(46-11-7-4-8-12-46)50-33-25-44(26-34-50)52-36-14-38(2)56-52;1-33-15-29-47(52-33)35-17-21-39(22-18-35)50(37-11-7-5-8-12-37)41-25-27-43-44-28-26-42(32-46(44)49(3,4)45(43)31-41)51(38-13-9-6-10-14-38)40-23-19-36(20-24-40)48-30-16-34(2)53-48;1-29-13-27-39(43-29)31-15-19-35(20-16-31)41(33-9-5-3-6-10-33)37-23-25-38(26-24-37)42(34-11-7-4-8-12-34)36-21-17-32(18-22-36)40-28-14-30(2)44-40/h7-40H,1-6H3;3-36H,1-2H3;5-32H,1-4H3;3-28H,1-2H3.
What are the key properties of 1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline?
1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline has a molecular weight of 2972.14 g/mol, XLogP of 62.68, 37 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline is sourced from PubChem (CID 160748751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).