4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline

C162H99N3O9 — CID 167659698

IUPAC4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12.[2H]c1c([2H])c(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c([2H])c([2H])c1-c1cccc2oc3ccccc3c12.[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c(-c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5ccc(-c6cccc7oc8ccccc8c67)cc5)cc4)c([2H])c32)c1[2H]
InChIInChI=1S/3C54H33NO3/c1-4-17-47-43(10-1)44-16-7-15-42(54(44)58-47)36-26-32-39(33-27-36)55(37-28-22-34(23-29-37)40-13-8-20-50-52(40)45-11-2-5-18-48(45)56-50)38-30-24-35(25-31-38)41-14-9-21-51-53(41)46-12-3-6-19-49(46)57-51;1-4-16-46-43(10-1)52-40(13-7-19-49(52)56-46)34-22-28-37(29-23-34)55(38-30-24-35(25-31-38)41-14-8-20-50-53(41)44-11-2-5-17-47(44)57-50)39-32-26-36(27-33-39)42-15-9-21-51-54(42)45-12-3-6-18-48(45)58-51;1-4-14-47-43(9-1)46-33-37(25-32-50(46)56-47)34-19-26-38(27-20-34)55(39-28-21-35(22-29-39)41-12-7-17-51-53(41)44-10-2-5-15-48(44)57-51)40-30-23-36(24-31-40)42-13-8-18-52-54(42)45-11-3-6-16-49(45)58-52/h3*1-33H/i26D,27D,32D,33D;22D,23D,28D,29D;1D,4D,9D,14D,25D,32D,33D
InChIKeyRTWSHWBAEXDPIB-GBJZXEDCSA-N
MW2246.68 g/mol
LogP47.57
Rot. Bonds18

About 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline

4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline (PubChem CID 167659698) has the molecular formula C162H99N3O9 and a molecular weight of 2246.68 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline
PubChem CID167659698
Molecular FormulaC162H99N3O9
Molecular Weight2246.68 g/mol
Exact Mass2244.83
IUPAC Name4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12.[2H]c1c([2H])c(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c([2H])c([2H])c1-c1cccc2oc3ccccc3c12.[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c(-c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5ccc(-c6cccc7oc8ccccc8c67)cc5)cc4)c([2H])c32)c1[2H]
InChIInChI=1S/3C54H33NO3/c1-4-17-47-43(10-1)44-16-7-15-42(54(44)58-47)36-26-32-39(33-27-36)55(37-28-22-34(23-29-37)40-13-8-20-50-52(40)45-11-2-5-18-48(45)56-50)38-30-24-35(25-31-38)41-14-9-21-51-53(41)46-12-3-6-19-49(46)57-51;1-4-16-46-43(10-1)52-40(13-7-19-49(52)56-46)34-22-28-37(29-23-34)55(38-30-24-35(25-31-38)41-14-8-20-50-53(41)44-11-2-5-17-47(44)57-50)39-32-26-36(27-33-39)42-15-9-21-51-54(42)45-12-3-6-18-48(45)58-51;1-4-14-47-43(9-1)46-33-37(25-32-50(46)56-47)34-19-26-38(27-20-34)55(39-28-21-35(22-29-39)41-12-7-17-51-53(41)44-10-2-5-15-48(44)57-51)40-30-23-36(24-31-40)42-13-8-18-52-54(42)45-11-3-6-16-49(45)58-52/h3*1-33H/i26D,27D,32D,33D;22D,23D,28D,29D;1D,4D,9D,14D,25D,32D,33D
InChIKeyRTWSHWBAEXDPIB-GBJZXEDCSA-N
XLogP47.57
TPSA127.98 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002246.68
LogP ≤ 547.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline with MolForge

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Related Compounds

2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline
CID 167584125
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
CID 171452829
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 171451237
2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 164831777
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 171451664
2,3,5,6-tetradeuterio-N-(2-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 171452589
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]aniline
CID 176810450
2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 171452702
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 171452595
N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 170676838
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168805047

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline?
The IUPAC name of 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline (CID 167659698) is 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline.
What is the SMILES notation for 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline?
The canonical SMILES for 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline is [2H]c1c([2H])c(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12.[2H]c1c([2H])c(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c([2H])c([2H])c1-c1cccc2oc3ccccc3c12.[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c(-c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5ccc(-c6cccc7oc8ccccc8c67)cc5)cc4)c([2H])c32)c1[2H].
What is the InChIKey of 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline?
The InChIKey is RTWSHWBAEXDPIB-GBJZXEDCSA-N. The full InChI is InChI=1S/3C54H33NO3/c1-4-17-47-43(10-1)44-16-7-15-42(54(44)58-47)36-26-32-39(33-27-36)55(37-28-22-34(23-29-37)40-13-8-20-50-52(40)45-11-2-5-18-48(45)56-50)38-30-24-35(25-31-38)41-14-9-21-51-53(41)46-12-3-6-19-49(46)57-51;1-4-16-46-43(10-1)52-40(13-7-19-49(52)56-46)34-22-28-37(29-23-34)55(38-30-24-35(25-31-38)41-14-8-20-50-53(41)44-11-2-5-17-47(44)57-50)39-32-26-36(27-33-39)42-15-9-21-51-54(42)45-12-3-6-18-48(45)58-51;1-4-14-47-43(9-1)46-33-37(25-32-50(46)56-47)34-19-26-38(27-20-34)55(39-28-21-35(22-29-39)41-12-7-17-51-53(41)44-10-2-5-15-48(44)57-51)40-30-23-36(24-31-40)42-13-8-18-52-54(42)45-11-3-6-16-49(45)58-52/h3*1-33H/i26D,27D,32D,33D;22D,23D,28D,29D;1D,4D,9D,14D,25D,32D,33D.
What are the key properties of 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline?
4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline has a molecular weight of 2246.68 g/mol, XLogP of 47.57, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline is sourced from PubChem (CID 167659698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).