N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine

C61H39NS2 — CID 121424236

IUPACN-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc(-c5cccc6c5sc5ccccc56)c4)cccc32)cc1
InChIInChI=1S/C61H39NS2/c1-3-18-42(19-4-1)61(43-20-5-2-6-21-43)53-30-10-7-25-52(53)58-54(61)31-16-32-55(58)62(44-37-35-40(36-38-44)46-26-14-28-50-48-23-8-11-33-56(48)63-59(46)50)45-22-13-17-41(39-45)47-27-15-29-51-49-24-9-12-34-57(49)64-60(47)51/h1-39H
InChIKeyCYVYZPZBSVWUIJ-UHFFFAOYSA-N
MW850.12 g/mol
LogP17.59
Rot. Bonds7

About N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine

N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 121424236) has the molecular formula C61H39NS2 and a molecular weight of 850.12 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID121424236
Molecular FormulaC61H39NS2
Molecular Weight850.12 g/mol
Exact Mass849.25
IUPAC NameN-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc(-c5cccc6c5sc5ccccc56)c4)cccc32)cc1
InChIInChI=1S/C61H39NS2/c1-3-18-42(19-4-1)61(43-20-5-2-6-21-43)53-30-10-7-25-52(53)58-54(61)31-16-32-55(58)62(44-37-35-40(36-38-44)46-26-14-28-50-48-23-8-11-33-56(48)63-59(46)50)45-22-13-17-41(39-45)47-27-15-29-51-49-24-9-12-34-57(49)64-60(47)51/h1-39H
InChIKeyCYVYZPZBSVWUIJ-UHFFFAOYSA-N
XLogP17.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.12
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121381523
N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424642
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424569
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423435
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine
CID 121423581
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424235
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424239
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424253
N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-4-amine
CID 164956471
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline
CID 121391749

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 121424236) is N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc(-c5cccc6c5sc5ccccc56)c4)cccc32)cc1.
What is the InChIKey of N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is CYVYZPZBSVWUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NS2/c1-3-18-42(19-4-1)61(43-20-5-2-6-21-43)53-30-10-7-25-52(53)58-54(61)31-16-32-55(58)62(44-37-35-40(36-38-44)46-26-14-28-50-48-23-8-11-33-56(48)63-59(46)50)45-22-13-17-41(39-45)47-27-15-29-51-49-24-9-12-34-57(49)64-60(47)51/h1-39H.
What are the key properties of N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine has a molecular weight of 850.12 g/mol, XLogP of 17.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 121424236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).