N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine

C42H28N2S — CID 167087055

IUPACN-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine
SMILESc1ccc(N(c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C42H28N2S/c1-2-15-30(16-3-1)43(40-26-13-22-36-35-21-7-11-27-41(35)45-42(36)40)37-23-8-4-18-32(37)29-14-12-17-31(28-29)44-38-24-9-5-19-33(38)34-20-6-10-25-39(34)44/h1-28H
InChIKeyARFFRTBIYQKMDC-UHFFFAOYSA-N
MW592.77 g/mol
LogP12.29
Rot. Bonds5

About N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine

N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine (PubChem CID 167087055) has the molecular formula C42H28N2S and a molecular weight of 592.77 g/mol. Its IUPAC name is N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine
PubChem CID167087055
Molecular FormulaC42H28N2S
Molecular Weight592.77 g/mol
Exact Mass592.20
IUPAC NameN-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine
SMILESc1ccc(N(c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C42H28N2S/c1-2-15-30(16-3-1)43(40-26-13-22-36-35-21-7-11-27-41(35)45-42(36)40)37-23-8-4-18-32(37)29-14-12-17-31(28-29)44-38-24-9-5-19-33(38)34-20-6-10-25-39(34)44/h1-28H
InChIKeyARFFRTBIYQKMDC-UHFFFAOYSA-N
XLogP12.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.77
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170380092
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
N-(3-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine
CID 167325393
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298563
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
N-dibenzothiophen-4-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298580
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298558
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298566

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine?
The IUPAC name of N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine (CID 167087055) is N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine is c1ccc(N(c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine?
The InChIKey is ARFFRTBIYQKMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2S/c1-2-15-30(16-3-1)43(40-26-13-22-36-35-21-7-11-27-41(35)45-42(36)40)37-23-8-4-18-32(37)29-14-12-17-31(28-29)44-38-24-9-5-19-33(38)34-20-6-10-25-39(34)44/h1-28H.
What are the key properties of N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine?
N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine has a molecular weight of 592.77 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 167087055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).