N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine

C46H28N2OS — CID 166591704

IUPACN-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine
SMILESc1ccc2cc(N(c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccccc34)c3cccc4oc5ccccc5c34)ccc2c1
InChIInChI=1S/C46H28N2OS/c1-2-13-30-26-31(25-24-29(30)12-1)47(40-20-11-22-43-45(40)36-17-5-9-21-42(36)49-43)41-28-32(27-37-35-16-6-10-23-44(35)50-46(37)41)48-38-18-7-3-14-33(38)34-15-4-8-19-39(34)48/h1-28H
InChIKeyLXLCMRIXOOTMDR-UHFFFAOYSA-N
MW656.81 g/mol
LogP13.67
Rot. Bonds4

About N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine

N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine (PubChem CID 166591704) has the molecular formula C46H28N2OS and a molecular weight of 656.81 g/mol. Its IUPAC name is N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine
PubChem CID166591704
Molecular FormulaC46H28N2OS
Molecular Weight656.81 g/mol
Exact Mass656.19
IUPAC NameN-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine
SMILESc1ccc2cc(N(c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccccc34)c3cccc4oc5ccccc5c34)ccc2c1
InChIInChI=1S/C46H28N2OS/c1-2-13-30-26-31(25-24-29(30)12-1)47(40-20-11-22-43-45(40)36-17-5-9-21-42(36)49-43)41-28-32(27-37-35-16-6-10-23-44(35)50-46(37)41)48-38-18-7-3-14-33(38)34-15-4-8-19-39(34)48/h1-28H
InChIKeyLXLCMRIXOOTMDR-UHFFFAOYSA-N
XLogP13.67
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.81
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 156520876
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 166591724
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine
CID 156521401
N-dibenzofuran-1-yl-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 138717110
N-dibenzofuran-1-yl-N-naphthalen-2-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 167132525
N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
CID 168814654
N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 163775323
N-(5-dibenzofuran-1-ylnaphthalen-1-yl)-N-dibenzothiophen-4-yl-9-phenylcarbazol-2-amine
CID 168814345
4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine
CID 176608218
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041496
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine
CID 170041494
4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 176609501

Frequently Asked Questions

What is the IUPAC name of N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine?
The IUPAC name of N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine (CID 166591704) is N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine.
What is the SMILES notation for N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine?
The canonical SMILES for N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine is c1ccc2cc(N(c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccccc34)c3cccc4oc5ccccc5c34)ccc2c1.
What is the InChIKey of N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine?
The InChIKey is LXLCMRIXOOTMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2OS/c1-2-13-30-26-31(25-24-29(30)12-1)47(40-20-11-22-43-45(40)36-17-5-9-21-42(36)49-43)41-28-32(27-37-35-16-6-10-23-44(35)50-46(37)41)48-38-18-7-3-14-33(38)34-15-4-8-19-39(34)48/h1-28H.
What are the key properties of N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine?
N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine has a molecular weight of 656.81 g/mol, XLogP of 13.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine is sourced from PubChem (CID 166591704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).