N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine

C54H36N2S — CID 168731541

IUPACN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine
SMILESc1ccc(-c2ccc(-c3nc4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6ccccc56)ccc4s3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-4-15-37(16-5-1)38-27-29-40(30-28-38)53-55-50-36-44(32-34-52(50)57-53)56(51-26-14-18-39-17-10-11-23-45(39)51)43-31-33-47-46-24-12-13-25-48(46)54(49(47)35-43,41-19-6-2-7-20-41)42-21-8-3-9-22-42/h1-36H
InChIKeyPKZBCWYQGSUUKA-UHFFFAOYSA-N
MW744.96 g/mol
LogP14.62
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine

N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine (PubChem CID 168731541) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine
PubChem CID168731541
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine
SMILESc1ccc(-c2ccc(-c3nc4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6ccccc56)ccc4s3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-4-15-37(16-5-1)38-27-29-40(30-28-38)53-55-50-36-44(32-34-52(50)57-53)56(51-26-14-18-39-17-10-11-23-45(39)51)43-31-33-47-46-24-12-13-25-48(46)54(49(47)35-43,41-19-6-2-7-20-41)42-21-8-3-9-22-42/h1-36H
InChIKeyPKZBCWYQGSUUKA-UHFFFAOYSA-N
XLogP14.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine
CID 168731686
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine
CID 168731637
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 146247670
9-(4-ethenylphenyl)-N-[4-[4-[4-[[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170070824
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzothiazol-6-amine
CID 168731474
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine
CID 168731651
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N,9,9-triphenyl-N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 159852016
N-(3-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 118405991
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321800

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine (CID 168731541) is N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine is c1ccc(-c2ccc(-c3nc4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6ccccc56)ccc4s3)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine?
The InChIKey is PKZBCWYQGSUUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-4-15-37(16-5-1)38-27-29-40(30-28-38)53-55-50-36-44(32-34-52(50)57-53)56(51-26-14-18-39-17-10-11-23-45(39)51)43-31-33-47-46-24-12-13-25-48(46)54(49(47)35-43,41-19-6-2-7-20-41)42-21-8-3-9-22-42/h1-36H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine?
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine has a molecular weight of 744.96 g/mol, XLogP of 14.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine is sourced from PubChem (CID 168731541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).