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

C46H28N2S2 — CID 170042320

IUPACN-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(N(c4cccc5c4ccc4sc6ccccc6c45)c4cccc5sc6ccccc6c45)c32)cc1
InChIInChI=1S/C46H28N2S2/c1-2-13-29(14-3-1)47-36-20-7-4-15-30(36)33-19-11-23-39(46(33)47)48(38-22-12-26-42-45(38)35-17-6-9-25-41(35)49-42)37-21-10-18-32-31(37)27-28-43-44(32)34-16-5-8-24-40(34)50-43/h1-28H
InChIKeyIVVKDEWTNHDRCY-UHFFFAOYSA-N
MW672.88 g/mol
LogP14.14
Rot. Bonds4

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

N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine (PubChem CID 170042320) has the molecular formula C46H28N2S2 and a molecular weight of 672.88 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine
PubChem CID170042320
Molecular FormulaC46H28N2S2
Molecular Weight672.88 g/mol
Exact Mass672.17
IUPAC NameN-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(N(c4cccc5c4ccc4sc6ccccc6c45)c4cccc5sc6ccccc6c45)c32)cc1
InChIInChI=1S/C46H28N2S2/c1-2-13-29(14-3-1)47-36-20-7-4-15-30(36)33-19-11-23-39(46(33)47)48(38-22-12-26-42-45(38)35-17-6-9-25-41(35)49-42)37-21-10-18-32-31(37)27-28-43-44(32)34-16-5-8-24-40(34)50-43/h1-28H
InChIKeyIVVKDEWTNHDRCY-UHFFFAOYSA-N
XLogP14.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.88
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170041577
N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286393
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 165000250
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 164980163
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
12-phenyl-15-(4-phenylphenyl)-24-thia-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 144705068
N-benzo[c]phenanthren-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-1-amine
CID 167181846
12-[3-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192716
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 164995259
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-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine
CID 160870248

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine (CID 170042320) is N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine is c1ccc(-n2c3ccccc3c3cccc(N(c4cccc5c4ccc4sc6ccccc6c45)c4cccc5sc6ccccc6c45)c32)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine?
The InChIKey is IVVKDEWTNHDRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2S2/c1-2-13-29(14-3-1)47-36-20-7-4-15-30(36)33-19-11-23-39(46(33)47)48(38-22-12-26-42-45(38)35-17-6-9-25-41(35)49-42)37-21-10-18-32-31(37)27-28-43-44(32)34-16-5-8-24-40(34)50-43/h1-28H.
What are the key properties of N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine?
N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine has a molecular weight of 672.88 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine is sourced from PubChem (CID 170042320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).