N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine

C54H34N2S — CID 166997335

IUPACN-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5cccc6ccccc56)c5ccccc45)c4cccc5c4sc4cc6ccccc6cc45)ccc32)cc1
InChIInChI=1S/C54H34N2S/c1-2-18-38(19-3-1)55-49-26-11-10-23-45(49)47-34-39(28-30-51(47)55)56(52-27-13-25-46-48-32-36-15-4-5-16-37(36)33-53(48)57-54(46)52)50-31-29-43(42-21-8-9-22-44(42)50)41-24-12-17-35-14-6-7-20-40(35)41/h1-34H
InChIKeyDQGWEJSRJDWFDQ-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.75
Rot. Bonds5

About N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine

N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine (PubChem CID 166997335) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
PubChem CID166997335
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC NameN-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5cccc6ccccc56)c5ccccc45)c4cccc5c4sc4cc6ccccc6cc45)ccc32)cc1
InChIInChI=1S/C54H34N2S/c1-2-18-38(19-3-1)55-49-26-11-10-23-45(49)47-34-39(28-30-51(47)55)56(52-27-13-25-46-48-32-36-15-4-5-16-37(36)33-53(48)57-54(46)52)50-31-29-43(42-21-8-9-22-44(42)50)41-24-12-17-35-14-6-7-20-40(35)41/h1-34H
InChIKeyDQGWEJSRJDWFDQ-UHFFFAOYSA-N
XLogP15.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.95
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 166997472
4-N,7-N-dinaphthalen-1-yl-4-N,7-N-bis(9-phenylcarbazol-3-yl)-1-benzothiophene-4,7-diamine
CID 153468472
4-N,4-N,10-N,10-N-tetraphenyl-7-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazole-4,10-diamine
CID 118122688
N-dibenzothiophen-4-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298580
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605
N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine
CID 170272726
N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
CID 170666257
N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
CID 129119341
N-(5-dibenzofuran-1-ylnaphthalen-1-yl)-N-dibenzothiophen-4-yl-9-phenylcarbazol-2-amine
CID 168814345
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298558
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yl-4-(9-phenylcarbazol-3-yl)naphthalen-1-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzothiophen-4-amine
CID 157314765

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine (CID 166997335) is N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5cccc6ccccc56)c5ccccc45)c4cccc5c4sc4cc6ccccc6cc45)ccc32)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine?
The InChIKey is DQGWEJSRJDWFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-2-18-38(19-3-1)55-49-26-11-10-23-45(49)47-34-39(28-30-51(47)55)56(52-27-13-25-46-48-32-36-15-4-5-16-37(36)33-53(48)57-54(46)52)50-31-29-43(42-21-8-9-22-44(42)50)41-24-12-17-35-14-6-7-20-40(35)41/h1-34H.
What are the key properties of N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine?
N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine has a molecular weight of 742.95 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 166997335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).