N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline

C54H34N2OS — CID 118405520

IUPACN-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)cc2)cc1
InChIInChI=1S/C54H34N2OS/c1-2-10-35(11-3-1)36-18-23-39(24-19-36)55(40-25-20-37(21-26-40)38-22-33-52-48(34-38)45-14-6-9-17-51(45)58-52)41-27-29-42(30-28-41)56-49-15-7-4-12-43(49)46-31-32-47-44-13-5-8-16-50(44)57-54(47)53(46)56/h1-34H
InChIKeyBRHFBILXHPQDRM-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.85
Rot. Bonds6

About N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline

N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline (PubChem CID 118405520) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
PubChem CID118405520
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC NameN-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)cc2)cc1
InChIInChI=1S/C54H34N2OS/c1-2-10-35(11-3-1)36-18-23-39(24-19-36)55(40-25-20-37(21-26-40)38-22-33-52-48(34-38)45-14-6-9-17-51(45)58-52)41-27-29-42(30-28-41)56-49-15-7-4-12-43(49)46-31-32-47-44-13-5-8-16-50(44)57-54(47)53(46)56/h1-34H
InChIKeyBRHFBILXHPQDRM-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-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline with MolForge

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Related Compounds

N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 118405592
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-4-phenylaniline;N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]-4-phenylaniline;N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 162088152
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208
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
4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline
CID 134252380
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline
CID 168804920
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
9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 118333340
N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405637
12-phenyl-3-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-9-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223760
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 158890240

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline?
The IUPAC name of N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline (CID 118405520) is N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline.
What is the SMILES notation for N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline?
The canonical SMILES for N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)cc2)cc1.
What is the InChIKey of N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline?
The InChIKey is BRHFBILXHPQDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-2-10-35(11-3-1)36-18-23-39(24-19-36)55(40-25-20-37(21-26-40)38-22-33-52-48(34-38)45-14-6-9-17-51(45)58-52)41-27-29-42(30-28-41)56-49-15-7-4-12-43(49)46-31-32-47-44-13-5-8-16-50(44)57-54(47)53(46)56/h1-34H.
What are the key properties of N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline?
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline 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-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 118405520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).