N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine

C53H35NS — CID 172545021

IUPACN-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5sc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C53H35NS/c1-3-18-38(19-4-1)53(39-20-5-2-6-21-39)45-26-11-9-23-43(45)51-46(53)27-14-28-47(51)54(48-29-15-31-50-52(48)44-24-10-12-30-49(44)55-50)40-34-32-37(33-35-40)42-25-13-17-36-16-7-8-22-41(36)42/h1-35H
InChIKeyJBKMFGHFYYOTMO-UHFFFAOYSA-N
MW717.94 g/mol
LogP14.71
Rot. Bonds6

About N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine

N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine (PubChem CID 172545021) has the molecular formula C53H35NS and a molecular weight of 717.94 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
PubChem CID172545021
Molecular FormulaC53H35NS
Molecular Weight717.94 g/mol
Exact Mass717.25
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5sc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C53H35NS/c1-3-18-38(19-4-1)53(39-20-5-2-6-21-39)45-26-11-9-23-43(45)51-46(53)27-14-28-47(51)54(48-29-15-31-50-52(48)44-24-10-12-30-49(44)55-50)40-34-32-37(33-35-40)42-25-13-17-36-16-7-8-22-41(36)42/h1-35H
InChIKeyJBKMFGHFYYOTMO-UHFFFAOYSA-N
XLogP14.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.94
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine
CID 172544772
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 168767241
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 172544905
2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326123
N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170302327
N-(2-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325374
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]fluoren-4-amine;N-[4-(4-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[4-(4-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 158452934
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine
CID 138484712
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine (CID 172545021) is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5sc6ccccc6c45)cccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine?
The InChIKey is JBKMFGHFYYOTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NS/c1-3-18-38(19-4-1)53(39-20-5-2-6-21-39)45-26-11-9-23-43(45)51-46(53)27-14-28-47(51)54(48-29-15-31-50-52(48)44-24-10-12-30-49(44)55-50)40-34-32-37(33-35-40)42-25-13-17-36-16-7-8-22-41(36)42/h1-35H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine?
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine has a molecular weight of 717.94 g/mol, XLogP of 14.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 172545021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).