N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine

C55H37NS — CID 138669021

IUPACN,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc3sc4ccc(N(c5ccccc5)c5ccc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)cc5)cc4c3c2)cc1
InChIInChI=1S/C55H37NS/c1-4-15-38(16-5-1)41-29-33-53-49(36-41)50-37-46(32-34-54(50)57-53)56(44-21-8-3-9-22-44)45-30-27-39(28-31-45)40-17-14-20-43(35-40)55(42-18-6-2-7-19-42)51-25-12-10-23-47(51)48-24-11-13-26-52(48)55/h1-37H
InChIKeyCGVBBDRJOLNAJT-UHFFFAOYSA-N
MW743.98 g/mol
LogP15.22
Rot. Bonds7

About N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine

N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine (PubChem CID 138669021) has the molecular formula C55H37NS and a molecular weight of 743.98 g/mol. Its IUPAC name is N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
PubChem CID138669021
Molecular FormulaC55H37NS
Molecular Weight743.98 g/mol
Exact Mass743.26
IUPAC NameN,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc3sc4ccc(N(c5ccccc5)c5ccc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)cc5)cc4c3c2)cc1
InChIInChI=1S/C55H37NS/c1-4-15-38(16-5-1)41-29-33-53-49(36-41)50-37-46(32-34-54(50)57-53)56(44-21-8-3-9-22-44)45-30-27-39(28-31-45)40-17-14-20-43(35-40)55(42-18-6-2-7-19-42)51-25-12-10-23-47(51)48-24-11-13-26-52(48)55/h1-37H
InChIKeyCGVBBDRJOLNAJT-UHFFFAOYSA-N
XLogP15.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.98
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121381508
9,9-dimethyl-N-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 163676847
8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163747382
3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096827
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839988
N-(4-dibenzothiophen-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839391
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565

Frequently Asked Questions

What is the IUPAC name of N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine?
The IUPAC name of N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine (CID 138669021) is N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine is c1ccc(-c2ccc3sc4ccc(N(c5ccccc5)c5ccc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)cc5)cc4c3c2)cc1.
What is the InChIKey of N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine?
The InChIKey is CGVBBDRJOLNAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NS/c1-4-15-38(16-5-1)41-29-33-53-49(36-41)50-37-46(32-34-54(50)57-53)56(44-21-8-3-9-22-44)45-30-27-39(28-31-45)40-17-14-20-43(35-40)55(42-18-6-2-7-19-42)51-25-12-10-23-47(51)48-24-11-13-26-52(48)55/h1-37H.
What are the key properties of N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine?
N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine has a molecular weight of 743.98 g/mol, XLogP of 15.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 138669021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).