N-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine

C144H90N6OS2Se3 — CID 160575702

IUPACN-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6[se]c7ccccc7c6c5)cc4)c4ccc5sc6ccccc6c5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6[se]c7ccccc7c6c5)cc4)c4cccc5c4oc4ccccc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6[se]c7ccccc7c6c5)cc4)c4cccc5sc6ccccc6c45)cc32)cc1
InChIInChI=1S/C48H30N2OSe.2C48H30N2SSe/c1-2-11-33(12-3-1)50-42-17-7-4-13-36(42)37-27-26-35(30-44(37)50)49(43-18-10-16-40-38-14-5-8-19-45(38)51-48(40)43)34-24-21-31(22-25-34)32-23-28-47-41(29-32)39-15-6-9-20-46(39)52-47;1-2-11-33(12-3-1)50-41-16-7-4-13-36(41)37-27-26-35(30-43(37)50)49(42-17-10-19-45-48(42)39-15-5-8-18-44(39)51-45)34-24-21-31(22-25-34)32-23-28-47-40(29-32)38-14-6-9-20-46(38)52-47;1-2-10-33(11-3-1)50-43-15-7-4-12-37(43)38-25-23-36(30-44(38)50)49(35-24-26-46-41(29-35)39-13-5-8-16-45(39)51-46)34-21-18-31(19-22-34)32-20-27-48-42(28-32)40-14-6-9-17-47(40)52-48/h3*1-30H
InChIKeyRBCTWIWOQLUKAS-UHFFFAOYSA-N
MW2221.36 g/mol
LogP40.49
Rot. Bonds15

About N-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine

N-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine (PubChem CID 160575702) has the molecular formula C144H90N6OS2Se3 and a molecular weight of 2221.36 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine
PubChem CID160575702
Molecular FormulaC144H90N6OS2Se3
Molecular Weight2221.36 g/mol
Exact Mass2222.41
IUPAC NameN-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6[se]c7ccccc7c6c5)cc4)c4ccc5sc6ccccc6c5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6[se]c7ccccc7c6c5)cc4)c4cccc5c4oc4ccccc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6[se]c7ccccc7c6c5)cc4)c4cccc5sc6ccccc6c45)cc32)cc1
InChIInChI=1S/C48H30N2OSe.2C48H30N2SSe/c1-2-11-33(12-3-1)50-42-17-7-4-13-36(42)37-27-26-35(30-44(37)50)49(43-18-10-16-40-38-14-5-8-19-45(38)51-48(40)43)34-24-21-31(22-25-34)32-23-28-47-41(29-32)39-15-6-9-20-46(39)52-47;1-2-11-33(12-3-1)50-41-16-7-4-13-36(41)37-27-26-35(30-43(37)50)49(42-17-10-19-45-48(42)39-15-5-8-18-44(39)51-45)34-24-21-31(22-25-34)32-23-28-47-40(29-32)38-14-6-9-20-46(38)52-47;1-2-10-33(11-3-1)50-43-15-7-4-12-37(43)38-25-23-36(30-44(38)50)49(35-24-26-46-41(29-35)39-13-5-8-16-45(39)51-46)34-21-18-31(19-22-34)32-20-27-48-42(28-32)40-14-6-9-17-47(40)52-48/h3*1-30H
InChIKeyRBCTWIWOQLUKAS-UHFFFAOYSA-N
XLogP40.49
TPSA37.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002221.36
LogP ≤ 540.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine with MolForge

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Related Compounds

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
N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814711
1-N-dibenzofuran-4-yl-3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[2-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]phenyl]benzene-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-dibenzothiophen-3-yl-1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]-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 159360188
3-N-dibenzofuran-4-yl-1-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]benzene-1,3-diamine
CID 149109551
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-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
CID 162144524
N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 163670822
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163713073
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-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]aniline;N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 164988034
N-dibenzofuran-1-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-3-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-4-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine
CID 158764953

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine (CID 160575702) is N-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6[se]c7ccccc7c6c5)cc4)c4ccc5sc6ccccc6c5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6[se]c7ccccc7c6c5)cc4)c4cccc5c4oc4ccccc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6[se]c7ccccc7c6c5)cc4)c4cccc5sc6ccccc6c45)cc32)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine?
The InChIKey is RBCTWIWOQLUKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OSe.2C48H30N2SSe/c1-2-11-33(12-3-1)50-42-17-7-4-13-36(42)37-27-26-35(30-44(37)50)49(43-18-10-16-40-38-14-5-8-19-45(38)51-48(40)43)34-24-21-31(22-25-34)32-23-28-47-41(29-32)39-15-6-9-20-46(39)52-47;1-2-11-33(12-3-1)50-41-16-7-4-13-36(41)37-27-26-35(30-43(37)50)49(42-17-10-19-45-48(42)39-15-5-8-18-44(39)51-45)34-24-21-31(22-25-34)32-23-28-47-40(29-32)38-14-6-9-20-46(38)52-47;1-2-10-33(11-3-1)50-43-15-7-4-12-37(43)38-25-23-36(30-44(38)50)49(35-24-26-46-41(29-35)39-13-5-8-16-45(39)51-46)34-21-18-31(19-22-34)32-20-27-48-42(28-32)40-14-6-9-17-47(40)52-48/h3*1-30H.
What are the key properties of N-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine?
N-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine has a molecular weight of 2221.36 g/mol, XLogP of 40.49, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 160575702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).