N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine

C46H30N2S — CID 167324605

IUPACN-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4-c4ccc5c(c4)sc4ccccc45)c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C46H30N2S/c1-2-15-33(16-3-1)47-43-22-10-7-19-37(43)40-30-34(26-28-44(40)47)48(42-23-12-14-31-13-4-5-17-35(31)42)41-21-9-6-18-36(41)32-25-27-39-38-20-8-11-24-45(38)49-46(39)29-32/h1-30H
InChIKeyKDVYNDGKFZRZHO-UHFFFAOYSA-N
MW642.83 g/mol
LogP13.44
Rot. Bonds5

About N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine

N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine (PubChem CID 167324605) has the molecular formula C46H30N2S and a molecular weight of 642.83 g/mol. Its IUPAC name is N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
PubChem CID167324605
Molecular FormulaC46H30N2S
Molecular Weight642.83 g/mol
Exact Mass642.21
IUPAC NameN-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4-c4ccc5c(c4)sc4ccccc45)c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C46H30N2S/c1-2-15-33(16-3-1)47-43-22-10-7-19-37(43)40-30-34(26-28-44(40)47)48(42-23-12-14-31-13-4-5-17-35(31)42)41-21-9-6-18-36(41)32-25-27-39-38-20-8-11-24-45(38)49-46(39)29-32/h1-30H
InChIKeyKDVYNDGKFZRZHO-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-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 129085135
N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738541
N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043
N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 129085119
6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine
CID 137493834
N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
CID 170298457
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
N-dibenzothiophen-3-yl-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167285475
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 163770597
N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170041577
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine (CID 167324605) is N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccccc4-c4ccc5c(c4)sc4ccccc45)c4cccc5ccccc45)ccc32)cc1.
What is the InChIKey of N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?
The InChIKey is KDVYNDGKFZRZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S/c1-2-15-33(16-3-1)47-43-22-10-7-19-37(43)40-30-34(26-28-44(40)47)48(42-23-12-14-31-13-4-5-17-35(31)42)41-21-9-6-18-36(41)32-25-27-39-38-20-8-11-24-45(38)49-46(39)29-32/h1-30H.
What are the key properties of N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-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-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 167324605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).