4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline

C48H30N2OS — CID 134252380

IUPAC4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-c5ccc6sc7ccccc7c6c5)c43)cc2)cc1
InChIInChI=1S/C48H30N2OS/c1-3-13-32(14-4-1)49(33-15-5-2-6-16-33)34-24-26-35(27-25-34)50-42-20-10-7-19-38(42)46-47(50)39(30-41-36-17-8-11-21-43(36)51-48(41)46)31-23-28-45-40(29-31)37-18-9-12-22-44(37)52-45/h1-30H
InChIKeyVUQCYBQHSRVSSH-UHFFFAOYSA-N
MW682.85 g/mol
LogP14.19
Rot. Bonds5

About 4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline

4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline (PubChem CID 134252380) has the molecular formula C48H30N2OS and a molecular weight of 682.85 g/mol. Its IUPAC name is 4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline
PubChem CID134252380
Molecular FormulaC48H30N2OS
Molecular Weight682.85 g/mol
Exact Mass682.21
IUPAC Name4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-c5ccc6sc7ccccc7c6c5)c43)cc2)cc1
InChIInChI=1S/C48H30N2OS/c1-3-13-32(14-4-1)49(33-15-5-2-6-16-33)34-24-26-35(27-25-34)50-42-20-10-7-19-38(42)46-47(50)39(30-41-36-17-8-11-21-43(36)51-48(41)46)31-23-28-45-40(29-31)37-18-9-12-22-44(37)52-45/h1-30H
InChIKeyVUQCYBQHSRVSSH-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

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Related Compounds

N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
CID 134252450
4-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 157317225
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 118405520
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-diphenyldibenzofuran-2-amine;N,N-diphenyl-4-(9-phenylcarbazol-3-yl)dibenzofuran-2-amine
CID 159548783
5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252605
N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine
CID 122462840
N-[4-(5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]-N,4-diphenylaniline
CID 134252470
N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline
CID 158408107
4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline
CID 170368945
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656557
9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 118333340
N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170368958

Frequently Asked Questions

What is the IUPAC name of 4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline (CID 134252380) is 4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-c5ccc6sc7ccccc7c6c5)c43)cc2)cc1.
What is the InChIKey of 4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline?
The InChIKey is VUQCYBQHSRVSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OS/c1-3-13-32(14-4-1)49(33-15-5-2-6-16-33)34-24-26-35(27-25-34)50-42-20-10-7-19-38(42)46-47(50)39(30-41-36-17-8-11-21-43(36)51-48(41)46)31-23-28-45-40(29-31)37-18-9-12-22-44(37)52-45/h1-30H.
What are the key properties of 4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline?
4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline 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 4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline is sourced from PubChem (CID 134252380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).