N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine

C49H31NOS — CID 121424840

IUPACN-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C49H31NOS/c1-3-14-32(15-4-1)49(33-16-5-2-6-17-33)42-22-10-7-18-36(42)40-30-34(26-28-43(40)49)50(35-27-29-47-41(31-35)38-20-9-12-25-46(38)52-47)44-23-13-21-39-37-19-8-11-24-45(37)51-48(39)44/h1-31H
InChIKeySGEQKPSAOQWRQM-UHFFFAOYSA-N
MW681.86 g/mol
LogP13.79
Rot. Bonds5

About N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine

N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine (PubChem CID 121424840) has the molecular formula C49H31NOS and a molecular weight of 681.86 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
PubChem CID121424840
Molecular FormulaC49H31NOS
Molecular Weight681.86 g/mol
Exact Mass681.21
IUPAC NameN-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C49H31NOS/c1-3-14-32(15-4-1)49(33-16-5-2-6-17-33)42-22-10-7-18-36(42)40-30-34(26-28-43(40)49)50(35-27-29-47-41(31-35)38-20-9-12-25-46(38)52-47)44-23-13-21-39-37-19-8-11-24-45(37)51-48(39)44/h1-31H
InChIKeySGEQKPSAOQWRQM-UHFFFAOYSA-N
XLogP13.79
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.86
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424296
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846
N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine
CID 158892408
N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424656
4-dibenzofuran-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 161095184
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381708
3-N-dibenzofuran-4-yl-3-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3,9'-diamine
CID 134530057
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 158701835
N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 166012362
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-2-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-2-amine
CID 159461162
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424214

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine (CID 121424840) is N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4oc4ccccc45)ccc32)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine?
The InChIKey is SGEQKPSAOQWRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NOS/c1-3-14-32(15-4-1)49(33-16-5-2-6-17-33)42-22-10-7-18-36(42)40-30-34(26-28-43(40)49)50(35-27-29-47-41(31-35)38-20-9-12-25-46(38)52-47)44-23-13-21-39-37-19-8-11-24-45(37)51-48(39)44/h1-31H.
What are the key properties of N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine?
N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine has a molecular weight of 681.86 g/mol, XLogP of 13.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine is sourced from PubChem (CID 121424840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).