N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline

C116H78N2OS — CID 163830866

IUPACN,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc5c(c4)sc4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc45)c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc(-c4ccc5oc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C61H41NS.C55H37NO/c1-4-16-42(17-5-1)44-30-34-50(35-31-44)62(51-24-14-20-45(38-51)43-18-6-2-7-19-43)52-25-15-21-46(39-52)47-32-36-55-56-37-33-49(41-60(56)63-59(55)40-47)61(48-22-8-3-9-23-48)57-28-12-10-26-53(57)54-27-11-13-29-58(54)61;1-4-17-42(18-5-1)55(51-25-12-10-23-47(51)48-24-11-13-26-52(48)55)43-30-33-49-50-36-41(29-34-53(50)57-54(49)37-43)40-16-14-15-39(35-40)38-27-31-46(32-28-38)56(44-19-6-2-7-20-44)45-21-8-3-9-22-45/h1-41H;1-37H
InChIKeyODNKWXXCUCUQQZ-UHFFFAOYSA-N
MW1547.98 g/mol
LogP31.64
Rot. Bonds15

About N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline

N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 163830866) has the molecular formula C116H78N2OS and a molecular weight of 1547.98 g/mol. Its IUPAC name is N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID163830866
Molecular FormulaC116H78N2OS
Molecular Weight1547.98 g/mol
Exact Mass1546.58
IUPAC NameN,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc5c(c4)sc4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc45)c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc(-c4ccc5oc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C61H41NS.C55H37NO/c1-4-16-42(17-5-1)44-30-34-50(35-31-44)62(51-24-14-20-45(38-51)43-18-6-2-7-19-43)52-25-15-21-46(39-52)47-32-36-55-56-37-33-49(41-60(56)63-59(55)40-47)61(48-22-8-3-9-23-48)57-28-12-10-26-53(57)54-27-11-13-29-58(54)61;1-4-17-42(18-5-1)55(51-25-12-10-23-47(51)48-24-11-13-26-52(48)55)43-30-33-49-50-36-41(29-34-53(50)57-54(49)37-43)40-16-14-15-39(35-40)38-27-31-46(32-28-38)56(44-19-6-2-7-20-44)45-21-8-3-9-22-45/h1-41H;1-37H
InChIKeyODNKWXXCUCUQQZ-UHFFFAOYSA-N
XLogP31.64
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001547.98
LogP ≤ 531.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 163987640
8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163747382
N-[4-(4-phenylphenyl)phenyl]-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]dibenzofuran-3-amine;7-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]dibenzothiophen-3-amine;9-phenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 163854265
N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]aniline;N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 163508412
9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine
CID 157052053
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-[9-(3-phenylphenyl)fluoren-9-yl]dibenzofuran-3-amine
CID 163514817
N-phenyl-7-[9-(3-phenylphenyl)fluoren-9-yl]-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 163646447
N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]aniline;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 163589564
3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096723
N,7-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 163960848
N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 163533094

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline (CID 163830866) is N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc5c(c4)sc4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc45)c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc(-c4ccc5oc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c5c4)c3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is ODNKWXXCUCUQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NS.C55H37NO/c1-4-16-42(17-5-1)44-30-34-50(35-31-44)62(51-24-14-20-45(38-51)43-18-6-2-7-19-43)52-25-15-21-46(39-52)47-32-36-55-56-37-33-49(41-60(56)63-59(55)40-47)61(48-22-8-3-9-23-48)57-28-12-10-26-53(57)54-27-11-13-29-58(54)61;1-4-17-42(18-5-1)55(51-25-12-10-23-47(51)48-24-11-13-26-52(48)55)43-30-33-49-50-36-41(29-34-53(50)57-54(49)37-43)40-16-14-15-39(35-40)38-27-31-46(32-28-38)56(44-19-6-2-7-20-44)45-21-8-3-9-22-45/h1-41H;1-37H.
What are the key properties of N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline?
N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 1547.98 g/mol, XLogP of 31.64, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 163830866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).