N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine

C49H33NS — CID 163549331

IUPACN-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3sc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)cc2)cc1
InChIInChI=1S/C49H33NS/c1-4-15-34(16-5-1)35-27-30-39(31-28-35)50(38-19-8-3-9-20-38)46-26-14-23-42-43-33-37(29-32-47(43)51-48(42)46)49(36-17-6-2-7-18-36)44-24-12-10-21-40(44)41-22-11-13-25-45(41)49/h1-33H
InChIKeyUCZPTKRKELJKKL-UHFFFAOYSA-N
MW667.88 g/mol
LogP13.55
Rot. Bonds6

About N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine

N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 163549331) has the molecular formula C49H33NS and a molecular weight of 667.88 g/mol. Its IUPAC name is N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
PubChem CID163549331
Molecular FormulaC49H33NS
Molecular Weight667.88 g/mol
Exact Mass667.23
IUPAC NameN-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3sc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)cc2)cc1
InChIInChI=1S/C49H33NS/c1-4-15-34(16-5-1)35-27-30-39(31-28-35)50(38-19-8-3-9-20-38)46-26-14-23-42-43-33-37(29-32-47(43)51-48(42)46)49(36-17-6-2-7-18-36)44-24-12-10-21-40(44)41-22-11-13-25-45(41)49/h1-33H
InChIKeyUCZPTKRKELJKKL-UHFFFAOYSA-N
XLogP13.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.88
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 163581266
N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 163497598
N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 163480005
8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163980178
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-phenyl-3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]-N-(4-phenylphenyl)aniline
CID 163737565
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176605585
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424362
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566059
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline
CID 121391749
N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169021968
N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 138669021

Frequently Asked Questions

What is the IUPAC name of N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine (CID 163549331) is N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3sc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)cc2)cc1.
What is the InChIKey of N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is UCZPTKRKELJKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NS/c1-4-15-34(16-5-1)35-27-30-39(31-28-35)50(38-19-8-3-9-20-38)46-26-14-23-42-43-33-37(29-32-47(43)51-48(42)46)49(36-17-6-2-7-18-36)44-24-12-10-21-40(44)41-22-11-13-25-45(41)49/h1-33H.
What are the key properties of N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 667.88 g/mol, XLogP of 13.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 163549331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).