N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine

C44H32N2S — CID 155473988

IUPACN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5sc(-c6ccccc6)nc5c4c3)cc21
InChIInChI=1S/C44H32N2S/c1-44(2)39-16-10-9-15-36(39)37-25-24-35(28-40(37)44)46(33-21-17-30(18-22-33)29-11-5-3-6-12-29)34-23-19-31-20-26-41-42(38(31)27-34)45-43(47-41)32-13-7-4-8-14-32/h3-28H,1-2H3
InChIKeyGXQZASWANUSIPP-UHFFFAOYSA-N
MW620.82 g/mol
LogP12.56
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine

N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine (PubChem CID 155473988) has the molecular formula C44H32N2S and a molecular weight of 620.82 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine
PubChem CID155473988
Molecular FormulaC44H32N2S
Molecular Weight620.82 g/mol
Exact Mass620.23
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5sc(-c6ccccc6)nc5c4c3)cc21
InChIInChI=1S/C44H32N2S/c1-44(2)39-16-10-9-15-36(39)37-25-24-35(28-40(37)44)46(33-21-17-30(18-22-33)29-11-5-3-6-12-29)34-23-19-31-20-26-41-42(38(31)27-34)45-43(47-41)32-13-7-4-8-14-32/h3-28H,1-2H3
InChIKeyGXQZASWANUSIPP-UHFFFAOYSA-N
XLogP12.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.82
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
CID 161071511
9,9-dimethyl-N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine
CID 167652149
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine
CID 168731651
9,9-dimethyl-N-[4-(2-naphthalen-2-ylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]-N-phenylfluoren-2-amine
CID 171607645
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazol-5-amine
CID 168731637
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine
CID 155361224
9,9-dimethyl-N-[4-(2-phenylnaphtho[1,2-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 174294873
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 172508899
8-N-(9,9-dimethylfluoren-2-yl)-2-N-phenyl-2-N-(3-phenylphenyl)-8-N-[3-(N-(3-phenylphenyl)anilino)phenyl]dibenzothiophene-2,8-diamine
CID 131979856
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine (CID 155473988) is N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5sc(-c6ccccc6)nc5c4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine?
The InChIKey is GXQZASWANUSIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2S/c1-44(2)39-16-10-9-15-36(39)37-25-24-35(28-40(37)44)46(33-21-17-30(18-22-33)29-11-5-3-6-12-29)34-23-19-31-20-26-41-42(38(31)27-34)45-43(47-41)32-13-7-4-8-14-32/h3-28H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine?
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine has a molecular weight of 620.82 g/mol, XLogP of 12.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine is sourced from PubChem (CID 155473988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).