N-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine

C44H27NS2 — CID 118616482

IUPACN-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccc6ccccc6c5c4c3)c3cccc4c3sc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C44H27NS2/c1-2-11-28(12-3-1)31-23-24-38(34-16-7-6-15-33(31)34)45(39-19-10-18-36-35-17-8-9-20-40(35)47-44(36)39)30-22-26-41-37(27-30)43-32-14-5-4-13-29(32)21-25-42(43)46-41/h1-27H
InChIKeyXRSDYZYSYFWNGE-UHFFFAOYSA-N
MW633.84 g/mol
LogP13.87
Rot. Bonds4

About N-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine

N-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine (PubChem CID 118616482) has the molecular formula C44H27NS2 and a molecular weight of 633.84 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine
PubChem CID118616482
Molecular FormulaC44H27NS2
Molecular Weight633.84 g/mol
Exact Mass633.16
IUPAC NameN-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccc6ccccc6c5c4c3)c3cccc4c3sc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C44H27NS2/c1-2-11-28(12-3-1)31-23-24-38(34-16-7-6-15-33(31)34)45(39-19-10-18-36-35-17-8-9-20-40(35)47-44(36)39)30-22-26-41-37(27-30)43-32-14-5-4-13-29(32)21-25-42(43)46-41/h1-27H
InChIKeyXRSDYZYSYFWNGE-UHFFFAOYSA-N
XLogP13.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.84
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine
CID 118616347
N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605730
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396719
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
CID 153299777
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397345
N-(4-phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine
CID 167396822
N-phenanthren-3-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
CID 170038880
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167396343
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718869
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzothiophen-1-amine
CID 176820964
N,N-bis[4-(4-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-4-amine
CID 165013831

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine (CID 118616482) is N-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine is c1ccc(-c2ccc(N(c3ccc4sc5ccc6ccccc6c5c4c3)c3cccc4c3sc3ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine?
The InChIKey is XRSDYZYSYFWNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NS2/c1-2-11-28(12-3-1)31-23-24-38(34-16-7-6-15-33(31)34)45(39-19-10-18-36-35-17-8-9-20-40(35)47-44(36)39)30-22-26-41-37(27-30)43-32-14-5-4-13-29(32)21-25-42(43)46-41/h1-27H.
What are the key properties of N-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine?
N-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine has a molecular weight of 633.84 g/mol, XLogP of 13.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzothiol-10-amine is sourced from PubChem (CID 118616482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).