N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine

C61H41NS — CID 67964530

IUPACN-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)c3ccc4c5c(cccc35)-c3ccccc3-4)cc21
InChIInChI=1S/C61H41NS/c1-61(2)55-36-43(38-11-4-3-5-12-38)25-30-48(55)49-31-29-45(37-56(49)61)62(57-33-32-52-47-14-7-6-13-46(47)51-16-10-17-53(57)60(51)52)44-27-23-40(24-28-44)39-19-21-41(22-20-39)42-26-34-59-54(35-42)50-15-8-9-18-58(50)63-59/h3-37H,1-2H3
InChIKeyAUAQWNAPJDPDGX-UHFFFAOYSA-N
MW820.07 g/mol
LogP17.63
Rot. Bonds6

About N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine

N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine (PubChem CID 67964530) has the molecular formula C61H41NS and a molecular weight of 820.07 g/mol. Its IUPAC name is N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine.

Molecular Properties

Compound NameN-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
PubChem CID67964530
Molecular FormulaC61H41NS
Molecular Weight820.07 g/mol
Exact Mass819.30
IUPAC NameN-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)c3ccc4c5c(cccc35)-c3ccccc3-4)cc21
InChIInChI=1S/C61H41NS/c1-61(2)55-36-43(38-11-4-3-5-12-38)25-30-48(55)49-31-29-45(37-56(49)61)62(57-33-32-52-47-14-7-6-13-46(47)51-16-10-17-53(57)60(51)52)44-27-23-40(24-28-44)39-19-21-41(22-20-39)42-26-34-59-54(35-42)50-15-8-9-18-58(50)63-59/h3-37H,1-2H3
InChIKeyAUAQWNAPJDPDGX-UHFFFAOYSA-N
XLogP17.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.07
LogP ≤ 517.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 126745975
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321713
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964547
7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-4-amine
CID 118193710
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863
N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 163519778
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine
CID 156522425
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine?
The IUPAC name of N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine (CID 67964530) is N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine.
What is the SMILES notation for N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine?
The canonical SMILES for N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)c3ccc4c5c(cccc35)-c3ccccc3-4)cc21.
What is the InChIKey of N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine?
The InChIKey is AUAQWNAPJDPDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NS/c1-61(2)55-36-43(38-11-4-3-5-12-38)25-30-48(55)49-31-29-45(37-56(49)61)62(57-33-32-52-47-14-7-6-13-46(47)51-16-10-17-53(57)60(51)52)44-27-23-40(24-28-44)39-19-21-41(22-20-39)42-26-34-59-54(35-42)50-15-8-9-18-58(50)63-59/h3-37H,1-2H3.
What are the key properties of N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine?
N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine has a molecular weight of 820.07 g/mol, XLogP of 17.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine is sourced from PubChem (CID 67964530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).