N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine

C60H45NS — CID 170665703

IUPACN-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4C(C)(C)c4ccccc4-5)c3-c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C60H45NS/c1-59(2)50-26-12-9-21-47(50)57-45(22-14-27-51(57)59)44-23-15-28-52(56(44)40-33-31-39(32-34-40)38-17-6-5-7-18-38)61(41-35-36-55-48(37-41)43-20-10-13-30-54(43)62-55)53-29-16-24-46-42-19-8-11-25-49(42)60(3,4)58(46)53/h5-37H,1-4H3
InChIKeySAEODRJRGCDDNE-UHFFFAOYSA-N
MW812.09 g/mol
LogP17.14
Rot. Bonds6

About N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine

N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine (PubChem CID 170665703) has the molecular formula C60H45NS and a molecular weight of 812.09 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
PubChem CID170665703
Molecular FormulaC60H45NS
Molecular Weight812.09 g/mol
Exact Mass811.33
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4C(C)(C)c4ccccc4-5)c3-c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C60H45NS/c1-59(2)50-26-12-9-21-47(50)57-45(22-14-27-51(57)59)44-23-15-28-52(56(44)40-33-31-39(32-34-40)38-17-6-5-7-18-38)61(41-35-36-55-48(37-41)43-20-10-13-30-54(43)62-55)53-29-16-24-46-42-19-8-11-25-49(42)60(3,4)58(46)53/h5-37H,1-4H3
InChIKeySAEODRJRGCDDNE-UHFFFAOYSA-N
XLogP17.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.09
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine with MolForge

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Related Compounds

N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170143113
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 155153832
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 168788697
N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139498923
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-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 177113961
N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine
CID 170665787
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740
N-benzo[g]phenanthren-4-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-amine
CID 167184480
N-(2-dibenzothiophen-3-yl-3-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 170666062
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146460
N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 163519778

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine (CID 170665703) is N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine is CC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4C(C)(C)c4ccccc4-5)c3-c3ccc(-c4ccccc4)cc3)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine?
The InChIKey is SAEODRJRGCDDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NS/c1-59(2)50-26-12-9-21-47(50)57-45(22-14-27-51(57)59)44-23-15-28-52(56(44)40-33-31-39(32-34-40)38-17-6-5-7-18-38)61(41-35-36-55-48(37-41)43-20-10-13-30-54(43)62-55)53-29-16-24-46-42-19-8-11-25-49(42)60(3,4)58(46)53/h5-37H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine?
N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine has a molecular weight of 812.09 g/mol, XLogP of 17.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 170665703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).