N,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine

C55H39NS — CID 138670243

IUPACN,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3ccccc32)=CC(c2ccc(N(c3ccccc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)C1
InChIInChI=1S/C55H39NS/c1-4-17-39(18-5-1)45-27-15-28-48-49-29-16-32-52(54(49)57-53(45)48)56(43-23-8-3-9-24-43)44-35-33-38(34-36-44)40-19-14-22-42(37-40)55(41-20-6-2-7-21-41)50-30-12-10-25-46(50)47-26-11-13-31-51(47)55/h1-18,20-37,40H,19H2
InChIKeyNOCWVKPGKSCZPN-UHFFFAOYSA-N
MW745.99 g/mol
LogP15.18
Rot. Bonds7

About N,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine

N,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine (PubChem CID 138670243) has the molecular formula C55H39NS and a molecular weight of 745.99 g/mol. Its IUPAC name is N,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine
PubChem CID138670243
Molecular FormulaC55H39NS
Molecular Weight745.99 g/mol
Exact Mass745.28
IUPAC NameN,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3ccccc32)=CC(c2ccc(N(c3ccccc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)C1
InChIInChI=1S/C55H39NS/c1-4-17-39(18-5-1)45-27-15-28-48-49-29-16-32-52(54(49)57-53(45)48)56(43-23-8-3-9-24-43)44-35-33-38(34-36-44)40-19-14-22-42(37-40)55(41-20-6-2-7-21-41)50-30-12-10-25-46(50)47-26-11-13-31-51(47)55/h1-18,20-37,40H,19H2
InChIKeyNOCWVKPGKSCZPN-UHFFFAOYSA-N
XLogP15.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.99
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene
CID 66656896
N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 163549331
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 172544603
6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164744422
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(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine
CID 164972725
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine
CID 168771967
N-(9,9-diphenylfluoren-2-yl)-N-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 165083626
N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine
CID 176624734
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121381523
N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 163497598

Frequently Asked Questions

What is the IUPAC name of N,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine?
The IUPAC name of N,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine (CID 138670243) is N,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine is C1=CC(C2(c3ccccc3)c3ccccc3-c3ccccc32)=CC(c2ccc(N(c3ccccc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)C1.
What is the InChIKey of N,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine?
The InChIKey is NOCWVKPGKSCZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NS/c1-4-17-39(18-5-1)45-27-15-28-48-49-29-16-32-52(54(49)57-53(45)48)56(43-23-8-3-9-24-43)44-35-33-38(34-36-44)40-19-14-22-42(37-40)55(41-20-6-2-7-21-41)50-30-12-10-25-46(50)47-26-11-13-31-51(47)55/h1-18,20-37,40H,19H2.
What are the key properties of N,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine?
N,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine has a molecular weight of 745.99 g/mol, XLogP of 15.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 138670243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).