N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine

C46H28N2OS — CID 170041494

IUPACN-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5ccc6sc7ccccc7c6c5c4)c4cccc5oc6ccccc6c45)cc32)cc1
InChIInChI=1S/C46H28N2OS/c1-2-11-30(12-3-1)48-38-16-7-4-13-33(38)34-25-24-32(28-40(34)48)47(39-17-10-19-42-46(39)35-14-5-8-18-41(35)49-42)31-23-21-29-22-26-44-45(37(29)27-31)36-15-6-9-20-43(36)50-44/h1-28H
InChIKeyHLFSIVPGNNATSG-UHFFFAOYSA-N
MW656.81 g/mol
LogP13.67
Rot. Bonds4

About N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine

N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine (PubChem CID 170041494) has the molecular formula C46H28N2OS and a molecular weight of 656.81 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine
PubChem CID170041494
Molecular FormulaC46H28N2OS
Molecular Weight656.81 g/mol
Exact Mass656.19
IUPAC NameN-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5ccc6sc7ccccc7c6c5c4)c4cccc5oc6ccccc6c45)cc32)cc1
InChIInChI=1S/C46H28N2OS/c1-2-11-30(12-3-1)48-38-16-7-4-13-33(38)34-25-24-32(28-40(34)48)47(39-17-10-19-42-46(39)35-14-5-8-18-41(35)49-42)31-23-21-29-22-26-44-45(37(29)27-31)36-15-6-9-20-43(36)50-44/h1-28H
InChIKeyHLFSIVPGNNATSG-UHFFFAOYSA-N
XLogP13.67
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.81
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041496
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine
CID 170041410
7-carbazol-9-yl-N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 168803972
N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
CID 168814654
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042216
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042143
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041506
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042535
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042433
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzofuran-5-yl-9-phenylcarbazol-3-amine
CID 170034293

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine (CID 170041494) is N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5ccc6sc7ccccc7c6c5c4)c4cccc5oc6ccccc6c45)cc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine?
The InChIKey is HLFSIVPGNNATSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2OS/c1-2-11-30(12-3-1)48-38-16-7-4-13-33(38)34-25-24-32(28-40(34)48)47(39-17-10-19-42-46(39)35-14-5-8-18-41(35)49-42)31-23-21-29-22-26-44-45(37(29)27-31)36-15-6-9-20-43(36)50-44/h1-28H.
What are the key properties of N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine?
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine has a molecular weight of 656.81 g/mol, XLogP of 13.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 170041494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).