N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine

C46H30N2S — CID 167227767

IUPACN-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C46H30N2S/c1-2-14-31(15-3-1)47(32-26-29-46-40(30-32)39-21-9-13-25-45(39)49-46)44-28-27-34(33-16-4-5-17-35(33)44)36-18-6-10-22-41(36)48-42-23-11-7-19-37(42)38-20-8-12-24-43(38)48/h1-30H
InChIKeyIRNYQGJBAKPEIL-UHFFFAOYSA-N
MW642.83 g/mol
LogP13.44
Rot. Bonds5

About N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine

N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine (PubChem CID 167227767) has the molecular formula C46H30N2S and a molecular weight of 642.83 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine
PubChem CID167227767
Molecular FormulaC46H30N2S
Molecular Weight642.83 g/mol
Exact Mass642.21
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C46H30N2S/c1-2-14-31(15-3-1)47(32-26-29-46-40(30-32)39-21-9-13-25-45(39)49-46)44-28-27-34(33-16-4-5-17-35(33)44)36-18-6-10-22-41(36)48-42-23-11-7-19-37(42)38-20-8-12-24-43(38)48/h1-30H
InChIKeyIRNYQGJBAKPEIL-UHFFFAOYSA-N
XLogP13.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.83
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227669
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine
CID 167227684
N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086517
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-phenyl-4-(2-phenylphenyl)naphthalen-1-amine
CID 174310766
4-(2-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167227694
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 71126719
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 167322385
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-2-phenylaniline
CID 155396593
N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227701
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine (CID 167227767) is N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine is c1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3ccccc23)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine?
The InChIKey is IRNYQGJBAKPEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S/c1-2-14-31(15-3-1)47(32-26-29-46-40(30-32)39-21-9-13-25-45(39)49-46)44-28-27-34(33-16-4-5-17-35(33)44)36-18-6-10-22-41(36)48-42-23-11-7-19-37(42)38-20-8-12-24-43(38)48/h1-30H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine?
N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine has a molecular weight of 642.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 167227767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).