2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine

C46H32N2S — CID 156521111

IUPAC2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine
SMILESC1=CC(c2cccc3ccccc23)CC=C1N(c1ccccc1)c1cc(-n2c3ccccc3c3ccccc32)cc2c1sc1ccccc12
InChIInChI=1S/C46H32N2S/c1-2-15-33(16-3-1)47(34-27-25-32(26-28-34)37-21-12-14-31-13-4-5-17-36(31)37)44-30-35(29-41-40-20-8-11-24-45(40)49-46(41)44)48-42-22-9-6-18-38(42)39-19-7-10-23-43(39)48/h1-25,27-30,32H,26H2
InChIKeyYXNXSLKNHCKIDT-UHFFFAOYSA-N
MW644.84 g/mol
LogP13.07
Rot. Bonds5

About 2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine

2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine (PubChem CID 156521111) has the molecular formula C46H32N2S and a molecular weight of 644.84 g/mol. Its IUPAC name is 2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound Name2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine
PubChem CID156521111
Molecular FormulaC46H32N2S
Molecular Weight644.84 g/mol
Exact Mass644.23
IUPAC Name2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine
SMILESC1=CC(c2cccc3ccccc23)CC=C1N(c1ccccc1)c1cc(-n2c3ccccc3c3ccccc32)cc2c1sc1ccccc12
InChIInChI=1S/C46H32N2S/c1-2-15-33(16-3-1)47(34-27-25-32(26-28-34)37-21-12-14-31-13-4-5-17-36(31)37)44-30-35(29-41-40-20-8-11-24-45(40)49-46(41)44)48-42-22-9-6-18-38(42)39-19-7-10-23-43(39)48/h1-25,27-30,32H,26H2
InChIKeyYXNXSLKNHCKIDT-UHFFFAOYSA-N
XLogP13.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.84
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 156520642
N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 155396661
N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 166591704
N-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine
CID 163742655
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline
CID 156520886
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine
CID 156520484
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 156521456
2-N,4-N-dinaphthalen-1-yl-2-N,4-N-diphenyl-7-(9-phenylcarbazol-2-yl)dibenzothiophene-2,4-diamine
CID 129178911
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 156520876
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 156521135
3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 146578511

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine?
The IUPAC name of 2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine (CID 156521111) is 2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for 2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for 2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine is C1=CC(c2cccc3ccccc23)CC=C1N(c1ccccc1)c1cc(-n2c3ccccc3c3ccccc32)cc2c1sc1ccccc12.
What is the InChIKey of 2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine?
The InChIKey is YXNXSLKNHCKIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2S/c1-2-15-33(16-3-1)47(34-27-25-32(26-28-34)37-21-12-14-31-13-4-5-17-36(31)37)44-30-35(29-41-40-20-8-11-24-45(40)49-46(41)44)48-42-22-9-6-18-38(42)39-19-7-10-23-43(39)48/h1-25,27-30,32H,26H2.
What are the key properties of 2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine?
2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine has a molecular weight of 644.84 g/mol, XLogP of 13.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 156521111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).