N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine

C51H31N3OS — CID 174294716

IUPACN-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2nc3ccc4c5cc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc5ccc4c3s2)cc1
InChIInChI=1S/C51H31N3OS/c1-3-11-33(12-4-1)51-52-45-28-27-38-43(50(45)56-51)24-20-32-19-21-35(29-44(32)38)53(37-23-26-42-41-16-8-10-18-48(41)55-49(42)31-37)36-22-25-40-39-15-7-9-17-46(39)54(47(40)30-36)34-13-5-2-6-14-34/h1-31H
InChIKeyFRTPKMQJXUELRI-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.74
Rot. Bonds5

About N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine

N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine (PubChem CID 174294716) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine
PubChem CID174294716
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC NameN-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2nc3ccc4c5cc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc5ccc4c3s2)cc1
InChIInChI=1S/C51H31N3OS/c1-3-11-33(12-4-1)51-52-45-28-27-38-43(50(45)56-51)24-20-32-19-21-35(29-44(32)38)53(37-23-26-42-41-16-8-10-18-48(41)55-49(42)31-37)36-22-25-40-39-15-7-9-17-46(39)54(47(40)30-36)34-13-5-2-6-14-34/h1-31H
InChIKeyFRTPKMQJXUELRI-UHFFFAOYSA-N
XLogP14.74
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.90
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 174294964
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzoxazol-8-amine
CID 174294004
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine
CID 174294709
N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 166845763
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167127943
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042433
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167124156
N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
CID 170138950
N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 170410254
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163531412
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine?
The IUPAC name of N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine (CID 174294716) is N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine?
The canonical SMILES for N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine is c1ccc(-c2nc3ccc4c5cc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc5ccc4c3s2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine?
The InChIKey is FRTPKMQJXUELRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-3-11-33(12-4-1)51-52-45-28-27-38-43(50(45)56-51)24-20-32-19-21-35(29-44(32)38)53(37-23-26-42-41-16-8-10-18-48(41)55-49(42)31-37)36-22-25-40-39-15-7-9-17-46(39)54(47(40)30-36)34-13-5-2-6-14-34/h1-31H.
What are the key properties of N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine?
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine has a molecular weight of 733.90 g/mol, XLogP of 14.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine is sourced from PubChem (CID 174294716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).