N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine

C71H57NS — CID 177114184

IUPACN-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)c4cccc5c4sc4ccccc45)cccc32)cc1
InChIInChI=1S/C71H57NS/c1-69(2,3)54-33-37-56(38-34-54)71(57-39-35-55(36-40-57)70(4,5)6)62-20-11-9-18-61(62)67-63(71)21-14-22-64(67)72(65-23-13-19-60-59-17-10-12-24-66(59)73-68(60)65)58-41-31-47(32-42-58)49-27-28-52-45-53(30-29-51(52)44-49)50-26-25-46-15-7-8-16-48(46)43-50/h7-45H,1-6H3
InChIKeyGOBHGAQSXUUEFD-UHFFFAOYSA-N
MW956.31 g/mol
LogP20.12
Rot. Bonds7

About N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine

N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 177114184) has the molecular formula C71H57NS and a molecular weight of 956.31 g/mol. Its IUPAC name is N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
PubChem CID177114184
Molecular FormulaC71H57NS
Molecular Weight956.31 g/mol
Exact Mass955.42
IUPAC NameN-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)c4cccc5c4sc4ccccc45)cccc32)cc1
InChIInChI=1S/C71H57NS/c1-69(2,3)54-33-37-56(38-34-54)71(57-39-35-55(36-40-57)70(4,5)6)62-20-11-9-18-61(62)67-63(71)21-14-22-64(67)72(65-23-13-19-60-59-17-10-12-24-66(59)73-68(60)65)58-41-31-47(32-42-58)49-27-28-52-45-53(30-29-51(52)44-49)50-26-25-46-15-7-8-16-48(46)43-50/h7-45H,1-6H3
InChIKeyGOBHGAQSXUUEFD-UHFFFAOYSA-N
XLogP20.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.31
LogP ≤ 520.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 172544925
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177114078
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 172544603
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-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
CID 177114023
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 172544905
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325892
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine
CID 168801881
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566059
N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113932
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine
CID 177121684

Frequently Asked Questions

What is the IUPAC name of N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine (CID 177114184) is N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine is CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)c4cccc5c4sc4ccccc45)cccc32)cc1.
What is the InChIKey of N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is GOBHGAQSXUUEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H57NS/c1-69(2,3)54-33-37-56(38-34-54)71(57-39-35-55(36-40-57)70(4,5)6)62-20-11-9-18-61(62)67-63(71)21-14-22-64(67)72(65-23-13-19-60-59-17-10-12-24-66(59)73-68(60)65)58-41-31-47(32-42-58)49-27-28-52-45-53(30-29-51(52)44-49)50-26-25-46-15-7-8-16-48(46)43-50/h7-45H,1-6H3.
What are the key properties of N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 956.31 g/mol, XLogP of 20.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 177114184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).