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

C102H67N3O2S — CID 157317225

IUPAC4-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5sc6ccccc6c5c4)c4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C54H36N2O.C48H31NOS/c1-3-13-37(14-4-1)39-23-29-42(30-24-39)55(43-31-25-40(26-32-43)38-15-5-2-6-16-38)45-35-49(54-50(36-45)48-19-9-12-22-53(48)57-54)41-27-33-44(34-28-41)56-51-20-10-7-17-46(51)47-18-8-11-21-52(47)56;1-3-11-32(12-4-1)34-19-24-37(25-20-34)49(38-26-21-35(22-27-38)33-13-5-2-6-14-33)39-30-42(48-44(31-39)40-15-7-9-17-45(40)50-48)36-23-28-47-43(29-36)41-16-8-10-18-46(41)51-47/h1-36H;1-31H
InChIKeyBDTACGJETRFFAQ-UHFFFAOYSA-N
MW1398.74 g/mol
LogP29.58
Rot. Bonds13

About 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

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 (PubChem CID 157317225) has the molecular formula C102H67N3O2S and a molecular weight of 1398.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID157317225
Molecular FormulaC102H67N3O2S
Molecular Weight1398.74 g/mol
Exact Mass1397.50
IUPAC Name4-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5sc6ccccc6c5c4)c4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C54H36N2O.C48H31NOS/c1-3-13-37(14-4-1)39-23-29-42(30-24-39)55(43-31-25-40(26-32-43)38-15-5-2-6-16-38)45-35-49(54-50(36-45)48-19-9-12-22-53(48)57-54)41-27-33-44(34-28-41)56-51-20-10-7-17-46(51)47-18-8-11-21-52(47)56;1-3-11-32(12-4-1)34-19-24-37(25-20-34)49(38-26-21-35(22-27-38)33-13-5-2-6-14-33)39-30-42(48-44(31-39)40-15-7-9-17-45(40)50-48)36-23-28-47-43(29-36)41-16-8-10-18-46(41)51-47/h1-36H;1-31H
InChIKeyBDTACGJETRFFAQ-UHFFFAOYSA-N
XLogP29.58
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001398.74
LogP ≤ 529.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-diphenyldibenzofuran-2-amine;N,N-diphenyl-4-(9-phenylcarbazol-3-yl)dibenzofuran-2-amine
CID 159548783
N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine
CID 122462840
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 176608837
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 157185893
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 118405520
4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline
CID 134252380
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine
CID 176608109
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline
CID 168804920
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5sc6ccccc6c5c4)c4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is BDTACGJETRFFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O.C48H31NOS/c1-3-13-37(14-4-1)39-23-29-42(30-24-39)55(43-31-25-40(26-32-43)38-15-5-2-6-16-38)45-35-49(54-50(36-45)48-19-9-12-22-53(48)57-54)41-27-33-44(34-28-41)56-51-20-10-7-17-46(51)47-18-8-11-21-52(47)56;1-3-11-32(12-4-1)34-19-24-37(25-20-34)49(38-26-21-35(22-27-38)33-13-5-2-6-14-33)39-30-42(48-44(31-39)40-15-7-9-17-45(40)50-48)36-23-28-47-43(29-36)41-16-8-10-18-46(41)51-47/h1-36H;1-31H.
What are the key properties of 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?
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 has a molecular weight of 1398.74 g/mol, XLogP of 29.58, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157317225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).