N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine

C56H36N2S2 — CID 156520264

IUPACN-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine
SMILESC1=Cc2sc3ccccc3c2C(N(c2ccc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4c3sc3ccccc34)cc2)c2cccc3ccccc23)C1
InChIInChI=1S/C56H36N2S2/c1-2-15-38-32-51-46(31-37(38)14-1)42-18-5-8-21-49(42)58(51)40-33-45(56-47(34-40)43-19-6-9-24-52(43)60-56)36-27-29-39(30-28-36)57(48-22-11-16-35-13-3-4-17-41(35)48)50-23-12-26-54-55(50)44-20-7-10-25-53(44)59-54/h1-22,24-34,50H,23H2
InChIKeyVPTAACUMVFFKPU-UHFFFAOYSA-N
MW801.05 g/mol
LogP16.64
Rot. Bonds5

About N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine

N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine (PubChem CID 156520264) has the molecular formula C56H36N2S2 and a molecular weight of 801.05 g/mol. Its IUPAC name is N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine
PubChem CID156520264
Molecular FormulaC56H36N2S2
Molecular Weight801.05 g/mol
Exact Mass800.23
IUPAC NameN-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine
SMILESC1=Cc2sc3ccccc3c2C(N(c2ccc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4c3sc3ccccc34)cc2)c2cccc3ccccc23)C1
InChIInChI=1S/C56H36N2S2/c1-2-15-38-32-51-46(31-37(38)14-1)42-18-5-8-21-49(42)58(51)40-33-45(56-47(34-40)43-19-6-9-24-52(43)60-56)36-27-29-39(30-28-36)57(48-22-11-16-35-13-3-4-17-41(35)48)50-23-12-26-54-55(50)44-20-7-10-25-53(44)59-54/h1-22,24-34,50H,23H2
InChIKeyVPTAACUMVFFKPU-UHFFFAOYSA-N
XLogP16.64
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.05
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 156521135
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine
CID 156521401
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine
CID 156520484
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 156520876
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline
CID 156520886
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 156521456
N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine
CID 156520991
methane;3-[9-(4-naphthalen-1-yldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-2-yldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 158321384
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 156521438
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 160918264
2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 156520642
9-naphthalen-1-yl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138623566

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine?
The IUPAC name of N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine (CID 156520264) is N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine?
The canonical SMILES for N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine is C1=Cc2sc3ccccc3c2C(N(c2ccc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4c3sc3ccccc34)cc2)c2cccc3ccccc23)C1.
What is the InChIKey of N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine?
The InChIKey is VPTAACUMVFFKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2S2/c1-2-15-38-32-51-46(31-37(38)14-1)42-18-5-8-21-49(42)58(51)40-33-45(56-47(34-40)43-19-6-9-24-52(43)60-56)36-27-29-39(30-28-36)57(48-22-11-16-35-13-3-4-17-41(35)48)50-23-12-26-54-55(50)44-20-7-10-25-53(44)59-54/h1-22,24-34,50H,23H2.
What are the key properties of N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine?
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine has a molecular weight of 801.05 g/mol, XLogP of 16.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine is sourced from PubChem (CID 156520264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).