6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine

C110H74N2OS — CID 163767703

IUPAC6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)c2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)sc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)c2)cc1
InChIInChI=1S/C55H37NO.C55H37NS/c2*1-4-17-38(18-5-1)40-21-14-25-43(35-40)56(44-26-15-22-41(36-44)39-19-6-2-7-20-39)45-33-34-48-49-29-16-32-52(54(49)57-53(48)37-45)55(42-23-8-3-9-24-42)50-30-12-10-27-46(50)47-28-11-13-31-51(47)55/h2*1-37H
InChIKeyMDTXDTPEVDNWHL-UHFFFAOYSA-N
MW1471.88 g/mol
LogP29.97
Rot. Bonds14

About 6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine

6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 163767703) has the molecular formula C110H74N2OS and a molecular weight of 1471.88 g/mol. Its IUPAC name is 6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound Name6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine
PubChem CID163767703
Molecular FormulaC110H74N2OS
Molecular Weight1471.88 g/mol
Exact Mass1470.55
IUPAC Name6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)c2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)sc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)c2)cc1
InChIInChI=1S/C55H37NO.C55H37NS/c2*1-4-17-38(18-5-1)40-21-14-25-43(35-40)56(44-26-15-22-41(36-44)39-19-6-2-7-20-39)45-33-34-48-49-29-16-32-52(54(49)57-53(48)37-45)55(42-23-8-3-9-24-42)50-30-12-10-27-46(50)47-28-11-13-31-51(47)55/h2*1-37H
InChIKeyMDTXDTPEVDNWHL-UHFFFAOYSA-N
XLogP29.97
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001471.88
LogP ≤ 529.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 163990371
N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169021968
N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593263
N-dibenzofuran-3-yl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-4-amine
CID 159394304
N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022155
N-(3,5-diphenylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 163589275
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
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-(4-dibenzofuran-4-ylphenyl)-3,5-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161165341
4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381304
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
7-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163827200

Frequently Asked Questions

What is the IUPAC name of 6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of 6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine (CID 163767703) is 6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for 6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for 6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)c2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)sc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)c2)cc1.
What is the InChIKey of 6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is MDTXDTPEVDNWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO.C55H37NS/c2*1-4-17-38(18-5-1)40-21-14-25-43(35-40)56(44-26-15-22-41(36-44)39-19-6-2-7-20-39)45-33-34-48-49-29-16-32-52(54(49)57-53(48)37-45)55(42-23-8-3-9-24-42)50-30-12-10-27-46(50)47-28-11-13-31-51(47)55/h2*1-37H.
What are the key properties of 6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine?
6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 1471.88 g/mol, XLogP of 29.97, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 163767703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).