N-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine

C56H34N2OS — CID 121329703

IUPACN-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1cc(-c2ccc(-n3c4ccccc4c4cc5ccccc5cc43)cc2)cc(N(c2ccc3c(c2)oc2c4ccccc4ccc32)c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C56H34N2OS/c1-2-12-39-32-52-50(31-38(39)11-1)45-16-5-7-18-51(45)58(52)40-23-20-35(21-24-40)37-13-9-14-41(30-37)57(43-26-29-48-47-17-6-8-19-54(47)60-55(48)34-43)42-25-28-46-49-27-22-36-10-3-4-15-44(36)56(49)59-53(46)33-42/h1-34H
InChIKeyYLWGNMKIIWQURB-UHFFFAOYSA-N
MW782.97 g/mol
LogP16.49
Rot. Bonds5

About N-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine

N-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 121329703) has the molecular formula C56H34N2OS and a molecular weight of 782.97 g/mol. Its IUPAC name is N-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine
PubChem CID121329703
Molecular FormulaC56H34N2OS
Molecular Weight782.97 g/mol
Exact Mass782.24
IUPAC NameN-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1cc(-c2ccc(-n3c4ccccc4c4cc5ccccc5cc43)cc2)cc(N(c2ccc3c(c2)oc2c4ccccc4ccc32)c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C56H34N2OS/c1-2-12-39-32-52-50(31-38(39)11-1)45-16-5-7-18-51(45)58(52)40-23-20-35(21-24-40)37-13-9-14-41(30-37)57(43-26-29-48-47-17-6-8-19-54(47)60-55(48)34-43)42-25-28-46-49-27-22-36-10-3-4-15-44(36)56(49)59-53(46)33-42/h1-34H
InChIKeyYLWGNMKIIWQURB-UHFFFAOYSA-N
XLogP16.49
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.97
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 147244332
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737951
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
4-(9-naphthalen-1-ylcarbazol-3-yl)-N,N-diphenylaniline;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-3-amine;9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 157275554
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 129085135
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
N-dibenzofuran-3-yl-N,9-diphenylcarbazol-1-amine;N-dibenzothiophen-3-yl-N,9-diphenylcarbazol-1-amine;N,N-diphenyl-9-(4-phenylphenyl)carbazol-1-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-1-amine;N,7,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 165092289
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 158890240
N-phenyl-N-[3-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine
CID 126621599
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 162244796
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 146577905

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine (CID 121329703) is N-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine is c1cc(-c2ccc(-n3c4ccccc4c4cc5ccccc5cc43)cc2)cc(N(c2ccc3c(c2)oc2c4ccccc4ccc32)c2ccc3c(c2)sc2ccccc23)c1.
What is the InChIKey of N-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is YLWGNMKIIWQURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2OS/c1-2-12-39-32-52-50(31-38(39)11-1)45-16-5-7-18-51(45)58(52)40-23-20-35(21-24-40)37-13-9-14-41(30-37)57(43-26-29-48-47-17-6-8-19-54(47)60-55(48)34-43)42-25-28-46-49-27-22-36-10-3-4-15-44(36)56(49)59-53(46)33-42/h1-34H.
What are the key properties of N-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine?
N-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 782.97 g/mol, XLogP of 16.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 121329703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).