N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine

C73H47NS2 — CID 121424642

IUPACN,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)cccc32)cc1
InChIInChI=1S/C73H47NS2/c1-3-22-54(23-4-1)73(55-24-5-2-6-25-55)65-33-10-7-28-64(65)70-66(73)34-17-35-67(70)74(56-42-38-48(39-43-56)50-18-13-20-52(46-50)58-29-15-31-62-60-26-8-11-36-68(60)75-71(58)62)57-44-40-49(41-45-57)51-19-14-21-53(47-51)59-30-16-32-63-61-27-9-12-37-69(61)76-72(59)63/h1-47H
InChIKeyQAILXCXLXRJMHR-UHFFFAOYSA-N
MW1002.32 g/mol
LogP20.92
Rot. Bonds9

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

N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine (PubChem CID 121424642) has the molecular formula C73H47NS2 and a molecular weight of 1002.32 g/mol. Its IUPAC name is N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
PubChem CID121424642
Molecular FormulaC73H47NS2
Molecular Weight1002.32 g/mol
Exact Mass1001.31
IUPAC NameN,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)cccc32)cc1
InChIInChI=1S/C73H47NS2/c1-3-22-54(23-4-1)73(55-24-5-2-6-25-55)65-33-10-7-28-64(65)70-66(73)34-17-35-67(70)74(56-42-38-48(39-43-56)50-18-13-20-52(46-50)58-29-15-31-62-60-26-8-11-36-68(60)75-71(58)62)57-44-40-49(41-45-57)51-19-14-21-53(47-51)59-30-16-32-63-61-27-9-12-37-69(61)76-72(59)63/h1-47H
InChIKeyQAILXCXLXRJMHR-UHFFFAOYSA-N
XLogP20.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.32
LogP ≤ 520.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine
CID 121423581
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424569
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121381523
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423435
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424362
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine
CID 121423516
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
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-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 166663845
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424368

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?
The IUPAC name of N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine (CID 121424642) is N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)cccc32)cc1.
What is the InChIKey of N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?
The InChIKey is QAILXCXLXRJMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H47NS2/c1-3-22-54(23-4-1)73(55-24-5-2-6-25-55)65-33-10-7-28-64(65)70-66(73)34-17-35-67(70)74(56-42-38-48(39-43-56)50-18-13-20-52(46-50)58-29-15-31-62-60-26-8-11-36-68(60)75-71(58)62)57-44-40-49(41-45-57)51-19-14-21-53(47-51)59-30-16-32-63-61-27-9-12-37-69(61)76-72(59)63/h1-47H.
What are the key properties of N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?
N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine has a molecular weight of 1002.32 g/mol, XLogP of 20.92, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 121424642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).