N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine

C65H43NS — CID 168847778

IUPACN-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C65H43NS/c1-4-18-46(19-5-1)55-39-40-61(63-58-28-13-15-30-62(58)67-64(55)63)66(53-36-33-45(34-37-53)49-32-31-44-17-10-11-20-47(44)41-49)54-26-16-21-48(42-54)50-35-38-57-56-27-12-14-29-59(56)65(60(57)43-50,51-22-6-2-7-23-51)52-24-8-3-9-25-52/h1-43H
InChIKeyCCXREBLVRMKXDU-UHFFFAOYSA-N
MW870.13 g/mol
LogP18.04
Rot. Bonds8

About N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine

N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine (PubChem CID 168847778) has the molecular formula C65H43NS and a molecular weight of 870.13 g/mol. Its IUPAC name is N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine
PubChem CID168847778
Molecular FormulaC65H43NS
Molecular Weight870.13 g/mol
Exact Mass869.31
IUPAC NameN-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C65H43NS/c1-4-18-46(19-5-1)55-39-40-61(63-58-28-13-15-30-62(58)67-64(55)63)66(53-36-33-45(34-37-53)49-32-31-44-17-10-11-20-47(44)41-49)54-26-16-21-48(42-54)50-35-38-57-56-27-12-14-29-59(56)65(60(57)43-50,51-22-6-2-7-23-51)52-24-8-3-9-25-52/h1-43H
InChIKeyCCXREBLVRMKXDU-UHFFFAOYSA-N
XLogP18.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.13
LogP ≤ 518.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847943
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847919
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 168847706
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847833
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566059
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine
CID 168771967
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170302520
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675309
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848047
N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine
CID 176624728
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675334

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine?
The IUPAC name of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine (CID 168847778) is N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine.
What is the SMILES notation for N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine?
The canonical SMILES for N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c3c2sc2ccccc23)cc1.
What is the InChIKey of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine?
The InChIKey is CCXREBLVRMKXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NS/c1-4-18-46(19-5-1)55-39-40-61(63-58-28-13-15-30-62(58)67-64(55)63)66(53-36-33-45(34-37-53)49-32-31-44-17-10-11-20-47(44)41-49)54-26-16-21-48(42-54)50-35-38-57-56-27-12-14-29-59(56)65(60(57)43-50,51-22-6-2-7-23-51)52-24-8-3-9-25-52/h1-43H.
What are the key properties of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine?
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine has a molecular weight of 870.13 g/mol, XLogP of 18.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 168847778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).