2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine

C44H27BrN2S — CID 164883360

IUPAC2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine
SMILESBrc1c(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc2sc3ccccc3c2c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H27BrN2S/c45-43-39(46(32-23-21-28-11-1-3-13-30(28)25-32)33-24-22-29-12-2-4-14-31(29)26-33)27-41-42(36-17-7-10-20-40(36)48-41)44(43)47-37-18-8-5-15-34(37)35-16-6-9-19-38(35)47/h1-27H
InChIKeyUULWTBCTKZHDKA-UHFFFAOYSA-N
MW695.69 g/mol
LogP13.69
Rot. Bonds4

About 2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine

2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine (PubChem CID 164883360) has the molecular formula C44H27BrN2S and a molecular weight of 695.69 g/mol. Its IUPAC name is 2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine.

Molecular Properties

Compound Name2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine
PubChem CID164883360
Molecular FormulaC44H27BrN2S
Molecular Weight695.69 g/mol
Exact Mass694.11
IUPAC Name2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine
SMILESBrc1c(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc2sc3ccccc3c2c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H27BrN2S/c45-43-39(46(32-23-21-28-11-1-3-13-30(28)25-32)33-24-22-29-12-2-4-14-31(29)26-33)27-41-42(36-17-7-10-20-40(36)48-41)44(43)47-37-18-8-5-15-34(37)35-16-6-9-19-38(35)47/h1-27H
InChIKeyUULWTBCTKZHDKA-UHFFFAOYSA-N
XLogP13.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.69
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 121329648
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine
CID 155396619
5-N,9-N-dinaphthalen-2-yl-5-N,9-N-diphenylnaphtho[2,1-b][1]benzothiole-5,9-diamine
CID 122416705
N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 166565844
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine
CID 167322826
N-chrysen-3-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine
CID 170138626
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
CID 167322523
N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
CID 90263616
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 146577905
N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 88873441

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine?
The IUPAC name of 2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine (CID 164883360) is 2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine.
What is the SMILES notation for 2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine?
The canonical SMILES for 2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine is Brc1c(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc2sc3ccccc3c2c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine?
The InChIKey is UULWTBCTKZHDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27BrN2S/c45-43-39(46(32-23-21-28-11-1-3-13-30(28)25-32)33-24-22-29-12-2-4-14-31(29)26-33)27-41-42(36-17-7-10-20-40(36)48-41)44(43)47-37-18-8-5-15-34(37)35-16-6-9-19-38(35)47/h1-27H.
What are the key properties of 2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine?
2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine has a molecular weight of 695.69 g/mol, XLogP of 13.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine is sourced from PubChem (CID 164883360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).