N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine

C46H28N2OS — CID 170041410

IUPACN-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine
SMILESc1ccc(-n2c3ccccc3c3c(N(c4ccc5c(c4)oc4ccccc45)c4ccc5ccc6sc7ccccc7c6c5c4)cccc32)cc1
InChIInChI=1S/C46H28N2OS/c1-2-11-30(12-3-1)48-38-16-7-4-14-35(38)46-39(17-10-18-40(46)48)47(32-24-25-34-33-13-5-8-19-41(33)49-42(34)28-32)31-23-21-29-22-26-44-45(37(29)27-31)36-15-6-9-20-43(36)50-44/h1-28H
InChIKeyRVVVMMRZFVTUPP-UHFFFAOYSA-N
MW656.81 g/mol
LogP13.67
Rot. Bonds4

About N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine

N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine (PubChem CID 170041410) has the molecular formula C46H28N2OS and a molecular weight of 656.81 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine
PubChem CID170041410
Molecular FormulaC46H28N2OS
Molecular Weight656.81 g/mol
Exact Mass656.19
IUPAC NameN-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine
SMILESc1ccc(-n2c3ccccc3c3c(N(c4ccc5c(c4)oc4ccccc45)c4ccc5ccc6sc7ccccc7c6c5c4)cccc32)cc1
InChIInChI=1S/C46H28N2OS/c1-2-11-30(12-3-1)48-38-16-7-4-14-35(38)46-39(17-10-18-40(46)48)47(32-24-25-34-33-13-5-8-19-41(33)49-42(34)28-32)31-23-21-29-22-26-44-45(37(29)27-31)36-15-6-9-20-43(36)50-44/h1-28H
InChIKeyRVVVMMRZFVTUPP-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-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-4-yl-9-phenylcarbazol-3-amine
CID 170042143
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042216
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041506
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042433
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042535
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine
CID 170041989
N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286393
N-chrysen-3-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine
CID 170138626
N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167130023

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine (CID 170041410) is N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine is c1ccc(-n2c3ccccc3c3c(N(c4ccc5c(c4)oc4ccccc45)c4ccc5ccc6sc7ccccc7c6c5c4)cccc32)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine?
The InChIKey is RVVVMMRZFVTUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2OS/c1-2-11-30(12-3-1)48-38-16-7-4-14-35(38)46-39(17-10-18-40(46)48)47(32-24-25-34-33-13-5-8-19-41(33)49-42(34)28-32)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-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine?
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-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-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine is sourced from PubChem (CID 170041410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).