N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine

C55H37NS — CID 139498923

IUPACN-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c4c3)cccc21
InChIInChI=1S/C55H37NS/c1-55(2)48-19-9-8-16-45(48)54-49(55)20-11-21-50(54)56(37-25-22-35(23-26-37)34-12-4-3-5-13-34)38-27-31-52-47(33-38)46-32-36(24-30-51(46)57-52)39-28-29-44-41-15-7-6-14-40(41)43-18-10-17-42(39)53(43)44/h3-33H,1-2H3
InChIKeyDSEBDZYZMWCGJQ-UHFFFAOYSA-N
MW743.98 g/mol
LogP15.97
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine

N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 139498923) has the molecular formula C55H37NS and a molecular weight of 743.98 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID139498923
Molecular FormulaC55H37NS
Molecular Weight743.98 g/mol
Exact Mass743.26
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c4c3)cccc21
InChIInChI=1S/C55H37NS/c1-55(2)48-19-9-8-16-45(48)54-49(55)20-11-21-50(54)56(37-25-22-35(23-26-37)34-12-4-3-5-13-34)38-27-31-52-47(33-38)46-32-36(24-30-51(46)57-52)39-28-29-44-41-15-7-6-14-40(41)43-18-10-17-42(39)53(43)44/h3-33H,1-2H3
InChIKeyDSEBDZYZMWCGJQ-UHFFFAOYSA-N
XLogP15.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.98
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-4-amine
CID 118193710
N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
CID 139498840
9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-4-amine
CID 170043087
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 177113961
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)phenyl]fluoren-4-amine
CID 139499292
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 155153832
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 170044787
N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
CID 67964530
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine
CID 167176354
N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 163519778
N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 170665703
N-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170043081

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine (CID 139498923) is N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c4c3)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is DSEBDZYZMWCGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NS/c1-55(2)48-19-9-8-16-45(48)54-49(55)20-11-21-50(54)56(37-25-22-35(23-26-37)34-12-4-3-5-13-34)38-27-31-52-47(33-38)46-32-36(24-30-51(46)57-52)39-28-29-44-41-15-7-6-14-40(41)43-18-10-17-42(39)53(43)44/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 743.98 g/mol, XLogP of 15.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 139498923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).