N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine

C54H32N2OS2 — CID 170368958

IUPACN-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4c(-c5ccc6sc7ccccc7c6c5)c5c(cc43)oc3ccccc35)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C54H32N2OS2/c1-2-12-34(13-3-1)55(37-27-28-40-38-14-6-10-20-48(38)59-51(40)31-37)35-23-25-36(26-24-35)56-44-18-8-4-16-41(44)53-45(56)32-47-54(42-17-5-9-19-46(42)57-47)52(53)33-22-29-50-43(30-33)39-15-7-11-21-49(39)58-50/h1-32H
InChIKeyYZXLRFWTDAPWOO-UHFFFAOYSA-N
MW789.00 g/mol
LogP16.56
Rot. Bonds5

About N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine

N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine (PubChem CID 170368958) has the molecular formula C54H32N2OS2 and a molecular weight of 789.00 g/mol. Its IUPAC name is N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
PubChem CID170368958
Molecular FormulaC54H32N2OS2
Molecular Weight789.00 g/mol
Exact Mass788.20
IUPAC NameN-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4c(-c5ccc6sc7ccccc7c6c5)c5c(cc43)oc3ccccc35)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C54H32N2OS2/c1-2-12-34(13-3-1)55(37-27-28-40-38-14-6-10-20-48(38)59-51(40)31-37)35-23-25-36(26-24-35)56-44-18-8-4-16-41(44)53-45(56)32-47-54(42-17-5-9-19-46(42)57-47)52(53)33-22-29-50-43(30-33)39-15-7-11-21-49(39)58-50/h1-32H
InChIKeyYZXLRFWTDAPWOO-UHFFFAOYSA-N
XLogP16.56
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.00
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline
CID 170368945
N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170377101
N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170369705
N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170368951
N-phenyl-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]dibenzofuran-3-amine
CID 129180955
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 170369238
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170369228
9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 118333340
N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine
CID 170369049
N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 149148527
N-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzothiophen-3-amine
CID 126718270
9-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole;9-[7-(7-carbazol-9-yldibenzothiophen-3-yl)dibenzothiophen-3-yl]carbazole;9-[8-[8-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;8-(8-carbazol-9-yldibenzothiophen-2-yl)-N,N-diphenyldibenzothiophen-2-amine;N,N-diphenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine;9-[8-(8-phenyldibenzothiophen-2-yl)dibenzothiophen-2-yl]carbazole
CID 159552400

Frequently Asked Questions

What is the IUPAC name of N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine?
The IUPAC name of N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine (CID 170368958) is N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4c(-c5ccc6sc7ccccc7c6c5)c5c(cc43)oc3ccccc35)cc2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine?
The InChIKey is YZXLRFWTDAPWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2OS2/c1-2-12-34(13-3-1)55(37-27-28-40-38-14-6-10-20-48(38)59-51(40)31-37)35-23-25-36(26-24-35)56-44-18-8-4-16-41(44)53-45(56)32-47-54(42-17-5-9-19-46(42)57-47)52(53)33-22-29-50-43(30-33)39-15-7-11-21-49(39)58-50/h1-32H.
What are the key properties of N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine?
N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine has a molecular weight of 789.00 g/mol, XLogP of 16.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 170368958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).