N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine

C46H28N2OS — CID 170041496

IUPACN-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5ccc6sc7ccccc7c6c5c4)c4cccc5oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C46H28N2OS/c1-2-11-30(12-3-1)48-38-16-7-4-13-33(38)37-28-32(24-25-39(37)48)47(40-17-10-19-42-46(40)34-14-5-8-18-41(34)49-42)31-23-21-29-22-26-44-45(36(29)27-31)35-15-6-9-20-43(35)50-44/h1-28H
InChIKeyNRENYVSKHCAPJX-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-3-amine

N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine (PubChem CID 170041496) 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-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
PubChem CID170041496
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-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5ccc6sc7ccccc7c6c5c4)c4cccc5oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C46H28N2OS/c1-2-11-30(12-3-1)48-38-16-7-4-13-33(38)37-28-32(24-25-39(37)48)47(40-17-10-19-42-46(40)34-14-5-8-18-41(34)49-42)31-23-21-29-22-26-44-45(36(29)27-31)35-15-6-9-20-43(35)50-44/h1-28H
InChIKeyNRENYVSKHCAPJX-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-2-amine
CID 170041494
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine
CID 170041410
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-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzofuran-5-yl-9-phenylcarbazol-3-amine
CID 170034293
N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine
CID 171399275
N-chrysen-3-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine
CID 170138626
N-dibenzofuran-1-yl-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 138717110
N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577647
N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
CID 170666332
7-carbazol-9-yl-N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 168803972

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine (CID 170041496) is N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc5ccc6sc7ccccc7c6c5c4)c4cccc5oc6ccccc6c45)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine?
The InChIKey is NRENYVSKHCAPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2OS/c1-2-11-30(12-3-1)48-38-16-7-4-13-33(38)37-28-32(24-25-39(37)48)47(40-17-10-19-42-46(40)34-14-5-8-18-41(34)49-42)31-23-21-29-22-26-44-45(36(29)27-31)35-15-6-9-20-43(35)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-3-amine?
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-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-3-amine is sourced from PubChem (CID 170041496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).