N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-amine

C46H28N2OS — CID 170042142

IUPACN-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(N(c4ccc5c(c4)oc4ccccc45)c4cc5ccccc5c5c4sc4ccccc45)c32)cc1
InChIInChI=1S/C46H28N2OS/c1-2-14-30(15-3-1)48-38-21-9-6-17-33(38)36-20-12-22-39(45(36)48)47(31-25-26-35-34-18-7-10-23-41(34)49-42(35)28-31)40-27-29-13-4-5-16-32(29)44-37-19-8-11-24-43(37)50-46(40)44/h1-28H
InChIKeyHYKRLKVCXXDXBL-UHFFFAOYSA-N
MW656.81 g/mol
LogP13.67
Rot. Bonds4

About N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-amine

N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-amine (PubChem CID 170042142) 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-6-yl-9-phenylcarbazol-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-amine
PubChem CID170042142
Molecular FormulaC46H28N2OS
Molecular Weight656.81 g/mol
Exact Mass656.19
IUPAC NameN-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(N(c4ccc5c(c4)oc4ccccc45)c4cc5ccccc5c5c4sc4ccccc45)c32)cc1
InChIInChI=1S/C46H28N2OS/c1-2-14-30(15-3-1)48-38-21-9-6-17-33(38)36-20-12-22-39(45(36)48)47(31-25-26-35-34-18-7-10-23-41(34)49-42(35)28-31)40-27-29-13-4-5-16-32(29)44-37-19-8-11-24-43(37)50-46(40)44/h1-28H
InChIKeyHYKRLKVCXXDXBL-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-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine
CID 170042399
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-1-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine
CID 165093056
N,9-diphenyl-N-(24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-yl)carbazol-1-amine;N-(24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine;N-phenyl-N-(3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)dibenzofuran-1-amine
CID 165021417
N,9-diphenyl-N-(9-thiahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)carbazol-1-amine
CID 164721719
N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
N-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170042316
N-dibenzofuran-3-yl-N,9-diphenylcarbazol-1-amine;N-dibenzothiophen-3-yl-N,9-diphenylcarbazol-1-amine;N,N-diphenyl-9-(4-phenylphenyl)carbazol-1-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-1-amine;N,7,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 165092289
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042143
N-benzo[c]phenanthren-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-1-amine
CID 167181846
N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine
CID 122578629
N-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721760
N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine
CID 126621564

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-amine (CID 170042142) is N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-amine is c1ccc(-n2c3ccccc3c3cccc(N(c4ccc5c(c4)oc4ccccc45)c4cc5ccccc5c5c4sc4ccccc45)c32)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-amine?
The InChIKey is HYKRLKVCXXDXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2OS/c1-2-14-30(15-3-1)48-38-21-9-6-17-33(38)36-20-12-22-39(45(36)48)47(31-25-26-35-34-18-7-10-23-41(34)49-42(35)28-31)40-27-29-13-4-5-16-32(29)44-37-19-8-11-24-43(37)50-46(40)44/h1-28H.
What are the key properties of N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-amine?
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-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-6-yl-9-phenylcarbazol-1-amine is sourced from PubChem (CID 170042142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).