4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene

C153H114Br2N8S3 — CID 160531878

IUPAC4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene
SMILESBrc1ccc(-c2ccccc2)cc1.CC1(C)c2cc(Br)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5s4)cc3)cc21.Nc1ccc(-c2nc3ccccc3s2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4nc5ccccc5s4)cc3)cc2)cc1
InChIInChI=1S/C64H47N3S.C39H30BrN.C25H18N2S.C13H10N2S.C12H9Br/c1-64(2)59-42-55(66(51-30-22-47(23-31-51)44-14-6-3-7-15-44)52-32-24-48(25-33-52)45-16-8-4-9-17-45)38-40-57(59)58-41-39-56(43-60(58)64)67(53-34-26-49(27-35-53)46-18-10-5-11-19-46)54-36-28-50(29-37-54)63-65-61-20-12-13-21-62(61)68-63;1-39(2)37-25-31(40)17-23-35(37)36-24-22-34(26-38(36)39)41(32-18-13-29(14-19-32)27-9-5-3-6-10-27)33-20-15-30(16-21-33)28-11-7-4-8-12-28;1-2-6-18(7-3-1)19-10-14-21(15-11-19)26-22-16-12-20(13-17-22)25-27-23-8-4-5-9-24(23)28-25;14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h3-43H,1-2H3;3-26H,1-2H3;1-17,26H;1-8H,14H2;1-9H
InChIKeyQVQROLLDCZXWPA-UHFFFAOYSA-N
MW2320.66 g/mol
LogP44.80
Rot. Bonds21

About 4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene

4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene (PubChem CID 160531878) has the molecular formula C153H114Br2N8S3 and a molecular weight of 2320.66 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene
PubChem CID160531878
Molecular FormulaC153H114Br2N8S3
Molecular Weight2320.66 g/mol
Exact Mass2316.67
IUPAC Name4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene
SMILESBrc1ccc(-c2ccccc2)cc1.CC1(C)c2cc(Br)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5s4)cc3)cc21.Nc1ccc(-c2nc3ccccc3s2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4nc5ccccc5s4)cc3)cc2)cc1
InChIInChI=1S/C64H47N3S.C39H30BrN.C25H18N2S.C13H10N2S.C12H9Br/c1-64(2)59-42-55(66(51-30-22-47(23-31-51)44-14-6-3-7-15-44)52-32-24-48(25-33-52)45-16-8-4-9-17-45)38-40-57(59)58-41-39-56(43-60(58)64)67(53-34-26-49(27-35-53)46-18-10-5-11-19-46)54-36-28-50(29-37-54)63-65-61-20-12-13-21-62(61)68-63;1-39(2)37-25-31(40)17-23-35(37)36-24-22-34(26-38(36)39)41(32-18-13-29(14-19-32)27-9-5-3-6-10-27)33-20-15-30(16-21-33)28-11-7-4-8-12-28;1-2-6-18(7-3-1)19-10-14-21(15-11-19)26-22-16-12-20(13-17-22)25-27-23-8-4-5-9-24(23)28-25;14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h3-43H,1-2H3;3-26H,1-2H3;1-17,26H;1-8H,14H2;1-9H
InChIKeyQVQROLLDCZXWPA-UHFFFAOYSA-N
XLogP44.80
TPSA86.44 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002320.66
LogP ≤ 544.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene with MolForge

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-7-[4-[4-(1,3-benzothiazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 155473393
2-N,7-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine
CID 155473435
2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 158074097
7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline
CID 159499057
1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158338012
N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 166918119
N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 161150395
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine
CID 168731651
5-N,9-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7,7-dimethyl-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 155473570
2-(4-bromophenyl)-9,9-dimethylfluorene;carbanide;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline;4-phenyl-N-(4-triphenylsilylphenyl)aniline
CID 157271018
2-[22-(1,3-benzothiazol-2-yl)-5,5,15,15,25,25-hexamethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl]-1,3-benzothiazole
CID 59413419
N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59707544

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene (CID 160531878) is 4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene is Brc1ccc(-c2ccccc2)cc1.CC1(C)c2cc(Br)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5s4)cc3)cc21.Nc1ccc(-c2nc3ccccc3s2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4nc5ccccc5s4)cc3)cc2)cc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene?
The InChIKey is QVQROLLDCZXWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N3S.C39H30BrN.C25H18N2S.C13H10N2S.C12H9Br/c1-64(2)59-42-55(66(51-30-22-47(23-31-51)44-14-6-3-7-15-44)52-32-24-48(25-33-52)45-16-8-4-9-17-45)38-40-57(59)58-41-39-56(43-60(58)64)67(53-34-26-49(27-35-53)46-18-10-5-11-19-46)54-36-28-50(29-37-54)63-65-61-20-12-13-21-62(61)68-63;1-39(2)37-25-31(40)17-23-35(37)36-24-22-34(26-38(36)39)41(32-18-13-29(14-19-32)27-9-5-3-6-10-27)33-20-15-30(16-21-33)28-11-7-4-8-12-28;1-2-6-18(7-3-1)19-10-14-21(15-11-19)26-22-16-12-20(13-17-22)25-27-23-8-4-5-9-24(23)28-25;14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h3-43H,1-2H3;3-26H,1-2H3;1-17,26H;1-8H,14H2;1-9H.
What are the key properties of 4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene?
4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene has a molecular weight of 2320.66 g/mol, XLogP of 44.80, 21 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene is sourced from PubChem (CID 160531878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).