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

C46H28N2OS — CID 170041506

IUPACN-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5oc6ccccc6c5c4)c4ccc5ccc6sc7ccccc7c6c5c4)ccc32)cc1
InChIInChI=1S/C46H28N2OS/c1-2-10-30(11-3-1)48-40-15-7-4-12-34(40)38-27-32(21-23-41(38)48)47(33-22-24-43-39(28-33)35-13-5-8-16-42(35)49-43)31-20-18-29-19-25-45-46(37(29)26-31)36-14-6-9-17-44(36)50-45/h1-28H
InChIKeyLBBFRKPVSWZAAJ-UHFFFAOYSA-N
MW656.81 g/mol
LogP13.67
Rot. Bonds4

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

N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine (PubChem CID 170041506) has the molecular formula C46H28N2OS and a molecular weight of 656.81 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
PubChem CID170041506
Molecular FormulaC46H28N2OS
Molecular Weight656.81 g/mol
Exact Mass656.19
IUPAC NameN-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5oc6ccccc6c5c4)c4ccc5ccc6sc7ccccc7c6c5c4)ccc32)cc1
InChIInChI=1S/C46H28N2OS/c1-2-10-30(11-3-1)48-40-15-7-4-12-34(40)38-27-32(21-23-41(38)48)47(33-22-24-43-39(28-33)35-13-5-8-16-42(35)49-43)31-20-18-29-19-25-45-46(37(29)26-31)36-14-6-9-17-44(36)50-45/h1-28H
InChIKeyLBBFRKPVSWZAAJ-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-2-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042535
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042216
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-9-yl-9-phenylcarbazol-2-amine
CID 170042433
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-yldibenzofuran-2-amine
CID 170039344
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-(9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)-N,9-diphenylcarbazol-3-amine
CID 162475527
N-dibenzothiophen-2-yl-N-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)-9-phenylcarbazol-3-amine
CID 146494431
N-dibenzothiophen-3-yl-N,22-diphenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-amine
CID 140918097
N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033935

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine (CID 170041506) is N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc5oc6ccccc6c5c4)c4ccc5ccc6sc7ccccc7c6c5c4)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine?
The InChIKey is LBBFRKPVSWZAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2OS/c1-2-10-30(11-3-1)48-40-15-7-4-12-34(40)38-27-32(21-23-41(38)48)47(33-22-24-43-39(28-33)35-13-5-8-16-42(35)49-43)31-20-18-29-19-25-45-46(37(29)26-31)36-14-6-9-17-44(36)50-45/h1-28H.
What are the key properties of N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine?
N-dibenzofuran-2-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-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 170041506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).