N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine

C52H32N2OS — CID 177122068

IUPACN-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine
SMILESc1ccc(-n2c3ccccc3c3c(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4cccc5c4oc4c6ccccc6ccc54)cccc32)cc1
InChIInChI=1S/C52H32N2OS/c1-2-13-36(14-3-1)53-44-19-8-6-17-43(44)50-45(53)20-11-21-46(50)54(47-22-10-18-41-42-31-26-34-12-4-5-15-38(34)51(42)55-52(41)47)37-28-24-33(25-29-37)35-27-30-40-39-16-7-9-23-48(39)56-49(40)32-35/h1-32H
InChIKeyWVTADNLNTQCUIS-UHFFFAOYSA-N
MW732.91 g/mol
LogP15.34
Rot. Bonds5

About N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine

N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine (PubChem CID 177122068) has the molecular formula C52H32N2OS and a molecular weight of 732.91 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine
PubChem CID177122068
Molecular FormulaC52H32N2OS
Molecular Weight732.91 g/mol
Exact Mass732.22
IUPAC NameN-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine
SMILESc1ccc(-n2c3ccccc3c3c(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4cccc5c4oc4c6ccccc6ccc54)cccc32)cc1
InChIInChI=1S/C52H32N2OS/c1-2-13-36(14-3-1)53-44-19-8-6-17-43(44)50-45(53)20-11-21-46(50)54(47-22-10-18-41-42-31-26-34-12-4-5-15-38(34)51(42)55-52(41)47)37-28-24-33(25-29-37)35-27-30-40-39-16-7-9-23-48(39)56-49(40)32-35/h1-32H
InChIKeyWVTADNLNTQCUIS-UHFFFAOYSA-N
XLogP15.34
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine
CID 177121353
N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738541
N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739309
N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
CID 177077852
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 171737667
N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168809606
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167278254
N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737323
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 160770802
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine
CID 170041989
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738145
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine
CID 177121504

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine?
The IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine (CID 177122068) is N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine is c1ccc(-n2c3ccccc3c3c(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4cccc5c4oc4c6ccccc6ccc54)cccc32)cc1.
What is the InChIKey of N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine?
The InChIKey is WVTADNLNTQCUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2OS/c1-2-13-36(14-3-1)53-44-19-8-6-17-43(44)50-45(53)20-11-21-46(50)54(47-22-10-18-41-42-31-26-34-12-4-5-15-38(34)51(42)55-52(41)47)37-28-24-33(25-29-37)35-27-30-40-39-16-7-9-23-48(39)56-49(40)32-35/h1-32H.
What are the key properties of N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine?
N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine has a molecular weight of 732.91 g/mol, XLogP of 15.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine is sourced from PubChem (CID 177122068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).