N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine

C54H32N2O2S — CID 170369238

IUPACN-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4c(-c5ccc6c(c5)oc5ccccc56)c5c(cc43)oc3ccccc35)cc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C54H32N2O2S/c1-2-13-34(14-3-1)55(44-21-12-19-40-39-16-7-11-24-50(39)59-54(40)44)35-26-28-36(29-27-35)56-43-20-8-4-17-41(43)52-45(56)32-49-53(42-18-6-10-23-47(42)58-49)51(52)33-25-30-38-37-15-5-9-22-46(37)57-48(38)31-33/h1-32H
InChIKeyMAIOSKPXLYXHAO-UHFFFAOYSA-N
MW772.93 g/mol
LogP16.09
Rot. Bonds5

About N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine

N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine (PubChem CID 170369238) has the molecular formula C54H32N2O2S and a molecular weight of 772.93 g/mol. Its IUPAC name is N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine
PubChem CID170369238
Molecular FormulaC54H32N2O2S
Molecular Weight772.93 g/mol
Exact Mass772.22
IUPAC NameN-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4c(-c5ccc6c(c5)oc5ccccc56)c5c(cc43)oc3ccccc35)cc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C54H32N2O2S/c1-2-13-34(14-3-1)55(44-21-12-19-40-39-16-7-11-24-50(39)59-54(40)44)35-26-28-36(29-27-35)56-43-20-8-4-17-41(43)52-45(56)32-49-53(42-18-6-10-23-47(42)58-49)51(52)33-25-30-38-37-15-5-9-22-46(37)57-48(38)31-33/h1-32H
InChIKeyMAIOSKPXLYXHAO-UHFFFAOYSA-N
XLogP16.09
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.93
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline
CID 170368945
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170369228
N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170368958
N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine
CID 170369049
N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170377101
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814389
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
CID 164955404
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 118405592
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
CID 129119341
N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170368951
N-dibenzofuran-2-yl-8-(3,5-dichlorophenyl)-N-phenyldibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[8-(3,5-dichlorophenyl)dibenzothiophen-4-yl]-9-phenylcarbazol-2-amine;N-dibenzothiophen-2-yl-8-(3,5-dichlorophenyl)-N-phenyldibenzofuran-3-amine;N,N-di(dibenzothiophen-2-yl)-8-(3,5-dichlorophenyl)dibenzothiophen-3-amine
CID 161347144

Frequently Asked Questions

What is the IUPAC name of N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
The IUPAC name of N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine (CID 170369238) is N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4c(-c5ccc6c(c5)oc5ccccc56)c5c(cc43)oc3ccccc35)cc2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
The InChIKey is MAIOSKPXLYXHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2S/c1-2-13-34(14-3-1)55(44-21-12-19-40-39-16-7-11-24-50(39)59-54(40)44)35-26-28-36(29-27-35)56-43-20-8-4-17-41(43)52-45(56)32-49-53(42-18-6-10-23-47(42)58-49)51(52)33-25-30-38-37-15-5-9-22-46(37)57-48(38)31-33/h1-32H.
What are the key properties of N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine has a molecular weight of 772.93 g/mol, XLogP of 16.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 170369238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).