N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine

C62H41NS — CID 121381708

IUPACN-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C62H41NS/c1-4-18-42(19-5-1)61(43-20-6-2-7-21-43)57-30-16-12-26-51(57)53-40-47(36-38-58(53)61)63(48-37-39-60-54(41-48)52-27-13-17-31-59(52)64-60)46-34-32-45(33-35-46)62(44-22-8-3-9-23-44)55-28-14-10-24-49(55)50-25-11-15-29-56(50)62/h1-41H
InChIKeyALVCUNDMDKLMCU-UHFFFAOYSA-N
MW832.08 g/mol
LogP16.25
Rot. Bonds7

About N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine

N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 121381708) has the molecular formula C62H41NS and a molecular weight of 832.08 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
PubChem CID121381708
Molecular FormulaC62H41NS
Molecular Weight832.08 g/mol
Exact Mass831.30
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C62H41NS/c1-4-18-42(19-5-1)61(43-20-6-2-7-21-43)57-30-16-12-26-51(57)53-40-47(36-38-58(53)61)63(48-37-39-60-54(41-48)52-27-13-17-31-59(52)64-60)46-34-32-45(33-35-46)62(44-22-8-3-9-23-44)55-28-14-10-24-49(55)50-25-11-15-29-56(50)62/h1-41H
InChIKeyALVCUNDMDKLMCU-UHFFFAOYSA-N
XLogP16.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.08
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121381508
N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine
CID 155305066
3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096827
8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163980178
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
CID 122593297
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424718
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine (CID 121381708) is N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine is c1ccc(C2(c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine?
The InChIKey is ALVCUNDMDKLMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NS/c1-4-18-42(19-5-1)61(43-20-6-2-7-21-43)57-30-16-12-26-51(57)53-40-47(36-38-58(53)61)63(48-37-39-60-54(41-48)52-27-13-17-31-59(52)64-60)46-34-32-45(33-35-46)62(44-22-8-3-9-23-44)55-28-14-10-24-49(55)50-25-11-15-29-56(50)62/h1-41H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine?
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine has a molecular weight of 832.08 g/mol, XLogP of 16.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 121381708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).