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

C71H50N4S2 — CID 155473393

IUPACN-[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
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5nc6ccccc6s5)cc4)c4cccc(-c5ccccc5)c4)cc3)ccc2-c2ccc(N(c3ccc(-c4nc5ccccc5s4)cc3)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C71H50N4S2/c1-71(2)63-45-54(49-27-34-55(35-28-49)74(58-21-13-19-52(43-58)47-15-5-3-6-16-47)56-36-29-50(30-37-56)69-72-65-23-9-11-25-67(65)76-69)33-41-61(63)62-42-40-60(46-64(62)71)75(59-22-14-20-53(44-59)48-17-7-4-8-18-48)57-38-31-51(32-39-57)70-73-66-24-10-12-26-68(66)77-70/h3-46H,1-2H3
InChIKeyGTTCEGRSLDECSV-UHFFFAOYSA-N
MW1023.34 g/mol
LogP20.49
Rot. Bonds11

About 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

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 (PubChem CID 155473393) has the molecular formula C71H50N4S2 and a molecular weight of 1023.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID155473393
Molecular FormulaC71H50N4S2
Molecular Weight1023.34 g/mol
Exact Mass1022.35
IUPAC NameN-[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
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5nc6ccccc6s5)cc4)c4cccc(-c5ccccc5)c4)cc3)ccc2-c2ccc(N(c3ccc(-c4nc5ccccc5s4)cc3)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C71H50N4S2/c1-71(2)63-45-54(49-27-34-55(35-28-49)74(58-21-13-19-52(43-58)47-15-5-3-6-16-47)56-36-29-50(30-37-56)69-72-65-23-9-11-25-67(65)76-69)33-41-61(63)62-42-40-60(46-64(62)71)75(59-22-14-20-53(44-59)48-17-7-4-8-18-48)57-38-31-51(32-39-57)70-73-66-24-10-12-26-68(66)77-70/h3-46H,1-2H3
InChIKeyGTTCEGRSLDECSV-UHFFFAOYSA-N
XLogP20.49
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.34
LogP ≤ 520.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine
CID 168731651
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
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
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
7-[4-(N-[(4R)-4-(1,3-benzothiazol-2-yl)-3-methylcyclohexa-1,5-dien-1-yl]-4-phenylanilino)phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155477865
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]-1,3-benzothiazol-6-amine
CID 159040137
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
N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59707544
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
N-[4-(1,3-benzothiazol-2-yl)phenyl]-6-(1,3-diphenylpropyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 174247802
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine
CID 168731637
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3ccc(N(c4ccc(-c5nc6ccccc6s5)cc4)c4cccc(-c5ccccc5)c4)cc3)ccc2-c2ccc(N(c3ccc(-c4nc5ccccc5s4)cc3)c3cccc(-c4ccccc4)c3)cc21.
What is the InChIKey of 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?
The InChIKey is GTTCEGRSLDECSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H50N4S2/c1-71(2)63-45-54(49-27-34-55(35-28-49)74(58-21-13-19-52(43-58)47-15-5-3-6-16-47)56-36-29-50(30-37-56)69-72-65-23-9-11-25-67(65)76-69)33-41-61(63)62-42-40-60(46-64(62)71)75(59-22-14-20-53(44-59)48-17-7-4-8-18-48)57-38-31-51(32-39-57)70-73-66-24-10-12-26-68(66)77-70/h3-46H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1023.34 g/mol, XLogP of 20.49, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155473393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).