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

C71H47NS — CID 166565662

IUPACN-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6cccc(-c7cccc(-c8ccc9ccccc9c8)c7)c6)cc5)c5ccc6sc7ccccc7c6c5)cc4)cccc32)cc1
InChIInChI=1S/C71H47NS/c1-3-22-57(23-4-1)71(58-24-5-2-6-25-58)66-29-11-9-27-64(66)70-62(28-15-30-67(70)71)50-36-40-60(41-37-50)72(61-42-43-69-65(47-61)63-26-10-12-31-68(63)73-69)59-38-34-49(35-39-59)52-18-13-19-53(44-52)54-20-14-21-55(46-54)56-33-32-48-16-7-8-17-51(48)45-56/h1-47H
InChIKeyFYMVOIKWUYWKMS-UHFFFAOYSA-N
MW946.23 g/mol
LogP19.71
Rot. Bonds9

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

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine (PubChem CID 166565662) has the molecular formula C71H47NS and a molecular weight of 946.23 g/mol. Its IUPAC name is N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
PubChem CID166565662
Molecular FormulaC71H47NS
Molecular Weight946.23 g/mol
Exact Mass945.34
IUPAC NameN-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6cccc(-c7cccc(-c8ccc9ccccc9c8)c7)c6)cc5)c5ccc6sc7ccccc7c6c5)cc4)cccc32)cc1
InChIInChI=1S/C71H47NS/c1-3-22-57(23-4-1)71(58-24-5-2-6-25-58)66-29-11-9-27-64(66)70-62(28-15-30-67(70)71)50-36-40-60(41-37-50)72(61-42-43-69-65(47-61)63-26-10-12-31-68(63)73-69)59-38-34-49(35-39-59)52-18-13-19-53(44-52)54-20-14-21-55(46-54)56-33-32-48-16-7-8-17-51(48)45-56/h1-47H
InChIKeyFYMVOIKWUYWKMS-UHFFFAOYSA-N
XLogP19.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.23
LogP ≤ 519.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-naphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169020066
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169020035
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 169019866
9-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593298
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325892
N-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 118004621
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019479
N-[6-[4-[3-[4-(N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 139394427
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 172544905
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 156550182
N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)aniline
CID 135229572

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine (CID 166565662) is N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6cccc(-c7cccc(-c8ccc9ccccc9c8)c7)c6)cc5)c5ccc6sc7ccccc7c6c5)cc4)cccc32)cc1.
What is the InChIKey of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine?
The InChIKey is FYMVOIKWUYWKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47NS/c1-3-22-57(23-4-1)71(58-24-5-2-6-25-58)66-29-11-9-27-64(66)70-62(28-15-30-67(70)71)50-36-40-60(41-37-50)72(61-42-43-69-65(47-61)63-26-10-12-31-68(63)73-69)59-38-34-49(35-39-59)52-18-13-19-53(44-52)54-20-14-21-55(46-54)56-33-32-48-16-7-8-17-51(48)45-56/h1-47H.
What are the key properties of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine?
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine has a molecular weight of 946.23 g/mol, XLogP of 19.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 166565662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).