N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine

C57H39NS2 — CID 163519778

IUPACN,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C57H39NS2/c1-57(2)50-16-10-15-44(38-11-4-3-5-12-38)56(50)47-30-29-43(35-51(47)57)58(41-25-19-36(20-26-41)39-23-31-54-48(33-39)45-13-6-8-17-52(45)59-54)42-27-21-37(22-28-42)40-24-32-55-49(34-40)46-14-7-9-18-53(46)60-55/h3-35H,1-2H3
InChIKeyDJUQFSCQWFXFOM-UHFFFAOYSA-N
MW802.08 g/mol
LogP17.20
Rot. Bonds6

About N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine

N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine (PubChem CID 163519778) has the molecular formula C57H39NS2 and a molecular weight of 802.08 g/mol. Its IUPAC name is N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
PubChem CID163519778
Molecular FormulaC57H39NS2
Molecular Weight802.08 g/mol
Exact Mass801.25
IUPAC NameN,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C57H39NS2/c1-57(2)50-16-10-15-44(38-11-4-3-5-12-38)56(50)47-30-29-43(35-51(47)57)58(41-25-19-36(20-26-41)39-23-31-54-48(33-39)45-13-6-8-17-52(45)59-54)42-27-21-37(22-28-42)40-24-32-55-49(34-40)46-14-7-9-18-53(46)60-55/h3-35H,1-2H3
InChIKeyDJUQFSCQWFXFOM-UHFFFAOYSA-N
XLogP17.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.08
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 155153832
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146460
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-4-amine
CID 118193710
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine
CID 135277566
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321713
N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
CID 67964530
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 137448805

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine?
The IUPAC name of N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine (CID 163519778) is N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine.
What is the SMILES notation for N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine?
The canonical SMILES for N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine?
The InChIKey is DJUQFSCQWFXFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NS2/c1-57(2)50-16-10-15-44(38-11-4-3-5-12-38)56(50)47-30-29-43(35-51(47)57)58(41-25-19-36(20-26-41)39-23-31-54-48(33-39)45-13-6-8-17-52(45)59-54)42-27-21-37(22-28-42)40-24-32-55-49(34-40)46-14-7-9-18-53(46)60-55/h3-35H,1-2H3.
What are the key properties of N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine?
N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine has a molecular weight of 802.08 g/mol, XLogP of 17.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine is sourced from PubChem (CID 163519778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).