N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine

C67H43NOS — CID 121424485

IUPACN-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cccc32)cc1
InChIInChI=1S/C67H43NOS/c1-3-18-49(19-4-1)67(50-20-5-2-6-21-50)58-26-10-7-23-55(58)66-59(67)27-15-28-60(66)68(52-39-34-45(35-40-52)53-25-14-31-64-65(53)56-24-9-12-30-63(56)70-64)51-37-32-44(33-38-51)46-16-13-17-47(42-46)48-36-41-62-57(43-48)54-22-8-11-29-61(54)69-62/h1-43H
InChIKeyLGVXLPGNMPNUAL-UHFFFAOYSA-N
MW910.15 g/mol
LogP18.79
Rot. Bonds8

About N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine

N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 121424485) has the molecular formula C67H43NOS and a molecular weight of 910.15 g/mol. Its IUPAC name is N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID121424485
Molecular FormulaC67H43NOS
Molecular Weight910.15 g/mol
Exact Mass909.31
IUPAC NameN-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cccc32)cc1
InChIInChI=1S/C67H43NOS/c1-3-18-49(19-4-1)67(50-20-5-2-6-21-50)58-26-10-7-23-55(58)66-59(67)27-15-28-60(66)68(52-39-34-45(35-40-52)53-25-14-31-64-65(53)56-24-9-12-30-63(56)70-64)51-37-32-44(33-38-51)46-16-13-17-47(42-46)48-36-41-62-57(43-48)54-22-8-11-29-61(54)69-62/h1-43H
InChIKeyLGVXLPGNMPNUAL-UHFFFAOYSA-N
XLogP18.79
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.15
LogP ≤ 518.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine with MolForge

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Related Compounds

N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424368
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine
CID 160753987
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424479
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424451
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424235
N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 159643698
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424214
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424505
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424208
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine
CID 138484712
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]fluoren-4-amine;N-[4-(4-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[4-(4-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 158452934
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168804523

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 121424485) is N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cccc32)cc1.
What is the InChIKey of N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is LGVXLPGNMPNUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NOS/c1-3-18-49(19-4-1)67(50-20-5-2-6-21-50)58-26-10-7-23-55(58)66-59(67)27-15-28-60(66)68(52-39-34-45(35-40-52)53-25-14-31-64-65(53)56-24-9-12-30-63(56)70-64)51-37-32-44(33-38-51)46-16-13-17-47(42-46)48-36-41-62-57(43-48)54-22-8-11-29-61(54)69-62/h1-43H.
What are the key properties of N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine has a molecular weight of 910.15 g/mol, XLogP of 18.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 121424485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).