N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine

C48H30N2OS — CID 168814386

IUPACN-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6sc7ccccc7c56)cc4)cc32)cc1
InChIInChI=1S/C48H30N2OS/c1-2-11-33(12-3-1)50-41-16-7-4-13-36(41)37-27-23-32(29-43(37)50)31-21-24-34(25-22-31)49(35-26-28-39-38-14-5-8-18-44(38)51-45(39)30-35)42-17-10-20-47-48(42)40-15-6-9-19-46(40)52-47/h1-30H
InChIKeySVJCEVJJIRDXOM-UHFFFAOYSA-N
MW682.85 g/mol
LogP14.19
Rot. Bonds5

About N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine

N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine (PubChem CID 168814386) has the molecular formula C48H30N2OS and a molecular weight of 682.85 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
PubChem CID168814386
Molecular FormulaC48H30N2OS
Molecular Weight682.85 g/mol
Exact Mass682.21
IUPAC NameN-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6sc7ccccc7c56)cc4)cc32)cc1
InChIInChI=1S/C48H30N2OS/c1-2-11-33(12-3-1)50-41-16-7-4-13-36(41)37-27-23-32(29-43(37)50)31-21-24-34(25-22-31)49(35-26-28-39-38-14-5-8-18-44(38)51-45(39)30-35)42-17-10-20-47-48(42)40-15-6-9-19-46(40)52-47/h1-30H
InChIKeySVJCEVJJIRDXOM-UHFFFAOYSA-N
XLogP14.19
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.85
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814389
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
3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine
CID 159457155
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042143
N-dibenzothiophen-1-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-3-amine
CID 163564489
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814275
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine
CID 170041410
N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577647
N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
CID 177077852
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine (CID 168814386) is N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6sc7ccccc7c56)cc4)cc32)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is SVJCEVJJIRDXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OS/c1-2-11-33(12-3-1)50-41-16-7-4-13-36(41)37-27-23-32(29-43(37)50)31-21-24-34(25-22-31)49(35-26-28-39-38-14-5-8-18-44(38)51-45(39)30-35)42-17-10-20-47-48(42)40-15-6-9-19-46(40)52-47/h1-30H.
What are the key properties of N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine?
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 682.85 g/mol, XLogP of 14.19, 5 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-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 168814386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).