N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine

C34H21NOS — CID 164799718

IUPACN-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3sc4cc5ccccc5cc4c3c2)cc1
InChIInChI=1S/C34H21NOS/c1-2-10-24(11-3-1)35(25-14-16-32-28(20-25)27-12-6-7-13-31(27)36-32)26-15-17-33-30(21-26)29-18-22-8-4-5-9-23(22)19-34(29)37-33/h1-21H
InChIKeyZHEVBYQTWZXZIG-UHFFFAOYSA-N
MW491.62 g/mol
LogP10.58
Rot. Bonds3

About N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine

N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine (PubChem CID 164799718) has the molecular formula C34H21NOS and a molecular weight of 491.62 g/mol. Its IUPAC name is N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine
PubChem CID164799718
Molecular FormulaC34H21NOS
Molecular Weight491.62 g/mol
Exact Mass491.13
IUPAC NameN-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3sc4cc5ccccc5cc4c3c2)cc1
InChIInChI=1S/C34H21NOS/c1-2-10-24(11-3-1)35(25-14-16-32-28(20-25)27-12-6-7-13-31(27)36-32)26-15-17-33-30(21-26)29-18-22-8-4-5-9-23(22)19-34(29)37-33/h1-21H
InChIKeyZHEVBYQTWZXZIG-UHFFFAOYSA-N
XLogP10.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.62
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-N,18-N-di(dibenzofuran-3-yl)-6-N,18-N-diphenyl-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-6,18-diamine
CID 149289463
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
7-N-dibenzofuran-2-yl-19-N-dibenzothiophen-2-yl-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 146694397
8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
CID 170235194
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551
8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine
CID 170044237
N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)-N-triphenylen-2-yldibenzofuran-2-amine
CID 146494426
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 122552061
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
N,N-diphenyldibenzofuran-2-amine
CID 58038469
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine (CID 164799718) is N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine is c1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3sc4cc5ccccc5cc4c3c2)cc1.
What is the InChIKey of N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine?
The InChIKey is ZHEVBYQTWZXZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21NOS/c1-2-10-24(11-3-1)35(25-14-16-32-28(20-25)27-12-6-7-13-31(27)36-32)26-15-17-33-30(21-26)29-18-22-8-4-5-9-23(22)19-34(29)37-33/h1-21H.
What are the key properties of N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine?
N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine has a molecular weight of 491.62 g/mol, XLogP of 10.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 164799718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).