N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine

C68H43NOS — CID 169022269

IUPACN-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(oc6ccccc65)c4C4(c5ccccc5)c5ccccc5-c5ccccc54)c4cccc5c4sc4ccccc45)cc32)cc1
InChIInChI=1S/C68H43NOS/c1-4-21-44(22-5-1)67(45-23-6-2-7-24-45)56-33-15-10-29-50(56)51-40-39-47(43-59(51)67)69(61-36-20-32-55-53-31-14-19-38-63(53)71-66(55)61)60-42-41-54-52-30-13-18-37-62(52)70-65(54)64(60)68(46-25-8-3-9-26-46)57-34-16-11-27-48(57)49-28-12-17-35-58(49)68/h1-43H
InChIKeyDLQYXXGVAANKOZ-UHFFFAOYSA-N
MW922.17 g/mol
LogP18.15
Rot. Bonds7

About N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine

N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine (PubChem CID 169022269) has the molecular formula C68H43NOS and a molecular weight of 922.17 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine
PubChem CID169022269
Molecular FormulaC68H43NOS
Molecular Weight922.17 g/mol
Exact Mass921.31
IUPAC NameN-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(oc6ccccc65)c4C4(c5ccccc5)c5ccccc5-c5ccccc54)c4cccc5c4sc4ccccc45)cc32)cc1
InChIInChI=1S/C68H43NOS/c1-4-21-44(22-5-1)67(45-23-6-2-7-24-45)56-33-15-10-29-50(56)51-40-39-47(43-59(51)67)69(61-36-20-32-55-53-31-14-19-38-63(53)71-66(55)61)60-42-41-54-52-30-13-18-37-62(52)70-65(54)64(60)68(46-25-8-3-9-26-46)57-34-16-11-27-48(57)49-28-12-17-35-58(49)68/h1-43H
InChIKeyDLQYXXGVAANKOZ-UHFFFAOYSA-N
XLogP18.15
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.17
LogP ≤ 518.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022341
N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine
CID 177121927
N-(3-dibenzofuran-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-4-amine
CID 162115385
N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169021968
N-dibenzofuran-3-yl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-4-amine
CID 159394304
8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 170235198
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424347
N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(2-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 159645825
N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 163907356
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 158701835
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-4-amine
CID 122675244
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[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]dibenzofuran-3-amine
CID 164981075

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine (CID 169022269) is N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(oc6ccccc65)c4C4(c5ccccc5)c5ccccc5-c5ccccc54)c4cccc5c4sc4ccccc45)cc32)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine?
The InChIKey is DLQYXXGVAANKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NOS/c1-4-21-44(22-5-1)67(45-23-6-2-7-24-45)56-33-15-10-29-50(56)51-40-39-47(43-59(51)67)69(61-36-20-32-55-53-31-14-19-38-63(53)71-66(55)61)60-42-41-54-52-30-13-18-37-62(52)70-65(54)64(60)68(46-25-8-3-9-26-46)57-34-16-11-27-48(57)49-28-12-17-35-58(49)68/h1-43H.
What are the key properties of N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine?
N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine has a molecular weight of 922.17 g/mol, XLogP of 18.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine is sourced from PubChem (CID 169022269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).