N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine

C51H31N3OS — CID 174294964

IUPACN-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5nc6ccc7c8ccccc8ccc7c6s5)cc4)c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C51H31N3OS/c1-2-11-34(12-3-1)54-46-16-8-6-14-40(46)43-30-36(23-28-47(43)54)53(37-24-29-49-44(31-37)41-15-7-9-17-48(41)55-49)35-21-18-33(19-22-35)51-52-45-27-26-39-38-13-5-4-10-32(38)20-25-42(39)50(45)56-51/h1-31H
InChIKeyOMLZUHREZCQGIE-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.74
Rot. Bonds5

About N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine

N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine (PubChem CID 174294964) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine
PubChem CID174294964
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC NameN-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5nc6ccc7c8ccccc8ccc7c6s5)cc4)c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C51H31N3OS/c1-2-11-34(12-3-1)54-46-16-8-6-14-40(46)43-30-36(23-28-47(43)54)53(37-24-29-49-44(31-37)41-15-7-9-17-48(41)55-49)35-21-18-33(19-22-35)51-52-45-27-26-39-38-13-5-4-10-32(38)20-25-42(39)50(45)56-51/h1-31H
InChIKeyOMLZUHREZCQGIE-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-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine
CID 174294716
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine
CID 174294709
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809759
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163531412
N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 58510646
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 163745971
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041506
N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine
CID 177113018
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167124156
N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
CID 170138950
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-8-amine
CID 167278176

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine (CID 174294964) is N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5nc6ccc7c8ccccc8ccc7c6s5)cc4)c4ccc5oc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine?
The InChIKey is OMLZUHREZCQGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-2-11-34(12-3-1)54-46-16-8-6-14-40(46)43-30-36(23-28-47(43)54)53(37-24-29-49-44(31-37)41-15-7-9-17-48(41)55-49)35-21-18-33(19-22-35)51-52-45-27-26-39-38-13-5-4-10-32(38)20-25-42(39)50(45)56-51/h1-31H.
What are the key properties of N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine?
N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-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-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 174294964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).