N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine

C54H34N2OS — CID 168814389

IUPACN-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc3sc4c(N(c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c5ccc6c(c5)oc5ccccc56)cccc4c3c2)cc1
InChIInChI=1S/C54H34N2OS/c1-3-12-35(13-4-1)37-25-31-53-47(32-37)46-18-11-20-49(54(46)58-53)55(41-28-30-45-44-17-8-10-21-51(44)57-52(45)34-41)40-26-22-36(23-27-40)38-24-29-43-42-16-7-9-19-48(42)56(50(43)33-38)39-14-5-2-6-15-39/h1-34H
InChIKeyYPWGYXXDDPTDGO-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.85
Rot. Bonds6

About N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine

N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine (PubChem CID 168814389) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
PubChem CID168814389
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC NameN-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc3sc4c(N(c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c5ccc6c(c5)oc5ccccc56)cccc4c3c2)cc1
InChIInChI=1S/C54H34N2OS/c1-3-12-35(13-4-1)37-25-31-53-47(32-37)46-18-11-20-49(54(46)58-53)55(41-28-30-45-44-17-8-10-21-51(44)57-52(45)34-41)40-26-22-36(23-27-40)38-24-29-43-42-16-7-9-19-48(42)56(50(43)33-38)39-14-5-2-6-15-39/h1-34H
InChIKeyYPWGYXXDDPTDGO-UHFFFAOYSA-N
XLogP15.85
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.95
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)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-(6-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814275
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine
CID 167110194
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159292400
N-dibenzofuran-2-yl-8-(3,5-dichlorophenyl)-N-phenyldibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[8-(3,5-dichlorophenyl)dibenzothiophen-4-yl]-9-phenylcarbazol-2-amine;N-dibenzothiophen-2-yl-8-(3,5-dichlorophenyl)-N-phenyldibenzofuran-3-amine;N,N-di(dibenzothiophen-2-yl)-8-(3,5-dichlorophenyl)dibenzothiophen-3-amine
CID 161347144
N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164976974
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
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-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
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
1-N-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-1-N-phenylbenzene-1,3-diamine;3-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-3-N-dibenzothiophen-2-yl-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]benzene-1,3-diamine
CID 160796602
N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 160775883

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine?
The IUPAC name of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine (CID 168814389) is N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine is c1ccc(-c2ccc3sc4c(N(c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c5ccc6c(c5)oc5ccccc56)cccc4c3c2)cc1.
What is the InChIKey of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine?
The InChIKey is YPWGYXXDDPTDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-3-12-35(13-4-1)37-25-31-53-47(32-37)46-18-11-20-49(54(46)58-53)55(41-28-30-45-44-17-8-10-21-51(44)57-52(45)34-41)40-26-22-36(23-27-40)38-24-29-43-42-16-7-9-19-48(42)56(50(43)33-38)39-14-5-2-6-15-39/h1-34H.
What are the key properties of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine?
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine has a molecular weight of 758.95 g/mol, XLogP of 15.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine is sourced from PubChem (CID 168814389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).