N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline

C156H100N6O3S3 — CID 158630950

IUPACN-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5s4)cc3)c3ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5s4)cc3)c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc4)cc3)c3ccc(-c4cc5ccccc5s4)cc3)cc2)cc1
InChIInChI=1S/C56H36N2OS.2C50H32N2OS/c1-2-10-37(11-3-1)38-18-26-43(27-19-38)57(45-32-24-41(25-33-45)54-36-42-12-4-9-17-53(42)60-54)44-28-20-39(21-29-44)40-22-30-46(31-23-40)58-50-15-7-5-14-49(50)55-51(58)35-34-48-47-13-6-8-16-52(47)59-56(48)55;1-2-10-33(11-3-1)34-18-22-37(23-19-34)51(38-24-20-35(21-25-38)50-30-36-12-4-9-17-49(36)54-50)39-26-28-40(29-27-39)52-45-15-7-5-13-41(45)43-31-44-42-14-6-8-16-47(42)53-48(44)32-46(43)52;1-2-10-33(11-3-1)34-18-22-37(23-19-34)51(38-24-20-35(21-25-38)48-32-36-12-4-9-17-47(36)54-48)39-26-28-40(29-27-39)52-45-15-7-5-13-41(45)43-30-31-44-42-14-6-8-16-46(42)53-50(44)49(43)52/h1-36H;2*1-32H
InChIKeyHZELVBJQXMWBIZ-UHFFFAOYSA-N
MW2202.76 g/mol
LogP45.77
Rot. Bonds19

About N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline

N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline (PubChem CID 158630950) has the molecular formula C156H100N6O3S3 and a molecular weight of 2202.76 g/mol. Its IUPAC name is N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline
PubChem CID158630950
Molecular FormulaC156H100N6O3S3
Molecular Weight2202.76 g/mol
Exact Mass2200.70
IUPAC NameN-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5s4)cc3)c3ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5s4)cc3)c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc4)cc3)c3ccc(-c4cc5ccccc5s4)cc3)cc2)cc1
InChIInChI=1S/C56H36N2OS.2C50H32N2OS/c1-2-10-37(11-3-1)38-18-26-43(27-19-38)57(45-32-24-41(25-33-45)54-36-42-12-4-9-17-53(42)60-54)44-28-20-39(21-29-44)40-22-30-46(31-23-40)58-50-15-7-5-14-49(50)55-51(58)35-34-48-47-13-6-8-16-52(47)59-56(48)55;1-2-10-33(11-3-1)34-18-22-37(23-19-34)51(38-24-20-35(21-25-38)50-30-36-12-4-9-17-49(36)54-50)39-26-28-40(29-27-39)52-45-15-7-5-13-41(45)43-31-44-42-14-6-8-16-47(42)53-48(44)32-46(43)52;1-2-10-33(11-3-1)34-18-22-37(23-19-34)51(38-24-20-35(21-25-38)48-32-36-12-4-9-17-47(36)54-48)39-26-28-40(29-27-39)52-45-15-7-5-13-41(45)43-30-31-44-42-14-6-8-16-46(42)53-50(44)49(43)52/h1-36H;2*1-32H
InChIKeyHZELVBJQXMWBIZ-UHFFFAOYSA-N
XLogP45.77
TPSA63.93 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002202.76
LogP ≤ 545.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline with MolForge

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Related Compounds

N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline
CID 118405496
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-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline
CID 161225008
7-[4-[4-[2-[4-[3-[9-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-7-phenylcarbazol-2-yl]phenyl]phenyl]-7-phenylcarbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 167192720
12-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]carbazole
CID 163531287
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N,4-diphenylaniline
CID 130230934
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 118405520
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;14-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163511176
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 118405592
2,7-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;3,6-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-c]carbazole;12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole;2-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 157086149
N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 118405567
11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-phenyl-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 158677567

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline?
The IUPAC name of N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline (CID 158630950) is N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5s4)cc3)c3ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5s4)cc3)c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc4)cc3)c3ccc(-c4cc5ccccc5s4)cc3)cc2)cc1.
What is the InChIKey of N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline?
The InChIKey is HZELVBJQXMWBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2OS.2C50H32N2OS/c1-2-10-37(11-3-1)38-18-26-43(27-19-38)57(45-32-24-41(25-33-45)54-36-42-12-4-9-17-53(42)60-54)44-28-20-39(21-29-44)40-22-30-46(31-23-40)58-50-15-7-5-14-49(50)55-51(58)35-34-48-47-13-6-8-16-52(47)59-56(48)55;1-2-10-33(11-3-1)34-18-22-37(23-19-34)51(38-24-20-35(21-25-38)50-30-36-12-4-9-17-49(36)54-50)39-26-28-40(29-27-39)52-45-15-7-5-13-41(45)43-31-44-42-14-6-8-16-47(42)53-48(44)32-46(43)52;1-2-10-33(11-3-1)34-18-22-37(23-19-34)51(38-24-20-35(21-25-38)48-32-36-12-4-9-17-47(36)54-48)39-26-28-40(29-27-39)52-45-15-7-5-13-41(45)43-30-31-44-42-14-6-8-16-46(42)53-50(44)49(43)52/h1-36H;2*1-32H.
What are the key properties of N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline?
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline has a molecular weight of 2202.76 g/mol, XLogP of 45.77, 19 rotatable bonds, 0 hydrogen bond donors, and 12 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-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 158630950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).