N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine

C46H30N2S — CID 129085135

IUPACN-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6ccccc56)c4)cc32)cc1
InChIInChI=1S/C46H30N2S/c1-2-15-34(16-3-1)48-43-21-8-6-19-38(43)39-26-24-33(29-44(39)48)32-14-10-17-35(28-32)47(42-22-11-13-31-12-4-5-18-37(31)42)36-25-27-41-40-20-7-9-23-45(40)49-46(41)30-36/h1-30H
InChIKeyJNQFJIGNZQACPT-UHFFFAOYSA-N
MW642.83 g/mol
LogP13.44
Rot. Bonds5

About N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine

N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine (PubChem CID 129085135) has the molecular formula C46H30N2S and a molecular weight of 642.83 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
PubChem CID129085135
Molecular FormulaC46H30N2S
Molecular Weight642.83 g/mol
Exact Mass642.21
IUPAC NameN-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6ccccc56)c4)cc32)cc1
InChIInChI=1S/C46H30N2S/c1-2-15-34(16-3-1)48-43-21-8-6-19-38(43)39-26-24-33(29-44(39)48)32-14-10-17-35(28-32)47(42-22-11-13-31-12-4-5-18-37(31)42)36-25-27-41-40-20-7-9-23-45(40)49-46(41)30-36/h1-30H
InChIKeyJNQFJIGNZQACPT-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

N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 129085119
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 158774946
N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
CID 177077852
6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine
CID 129194367
6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine
CID 137493834
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086981
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 163770597
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine (CID 129085135) is N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine is c1ccc(-n2c3ccccc3c3ccc(-c4cccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6ccccc56)c4)cc32)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine?
The InChIKey is JNQFJIGNZQACPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S/c1-2-15-34(16-3-1)48-43-21-8-6-19-38(43)39-26-24-33(29-44(39)48)32-14-10-17-35(28-32)47(42-22-11-13-31-12-4-5-18-37(31)42)36-25-27-41-40-20-7-9-23-45(40)49-46(41)30-36/h1-30H.
What are the key properties of N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine?
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-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-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 129085135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).