N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine

C67H47NS — CID 170023651

IUPACN-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3cccc(-c4cccc5c4sc4ccccc45)c3-c3ccccc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C67H47NS/c1-67(2)59-34-17-30-53(45-21-8-4-9-22-45)65(59)58-42-41-50(43-60(58)67)68(49-39-37-46(38-40-49)52-29-15-26-47-25-14-28-51(63(47)52)44-19-6-3-7-20-44)61-35-18-31-55(64(61)48-23-10-5-11-24-48)57-33-16-32-56-54-27-12-13-36-62(54)69-66(56)57/h3-43H,1-2H3
InChIKeyBWIDZZUGVWTCQM-UHFFFAOYSA-N
MW898.19 g/mol
LogP19.32
Rot. Bonds8

About N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine

N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 170023651) has the molecular formula C67H47NS and a molecular weight of 898.19 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
PubChem CID170023651
Molecular FormulaC67H47NS
Molecular Weight898.19 g/mol
Exact Mass897.34
IUPAC NameN-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3cccc(-c4cccc5c4sc4ccccc45)c3-c3ccccc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C67H47NS/c1-67(2)59-34-17-30-53(45-21-8-4-9-22-45)65(59)58-42-41-50(43-60(58)67)68(49-39-37-46(38-40-49)52-29-15-26-47-25-14-28-51(63(47)52)44-19-6-3-7-20-44)61-35-18-31-55(64(61)48-23-10-5-11-24-48)57-33-16-32-56-54-27-12-13-36-62(54)69-66(56)57/h3-43H,1-2H3
InChIKeyBWIDZZUGVWTCQM-UHFFFAOYSA-N
XLogP19.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.19
LogP ≤ 519.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-phenylphenyl)phenyl]-N-(6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-yl)dibenzothiophen-4-amine
CID 138455824
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylphenyl)fluoren-2-amine
CID 121391711
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
N-(2-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293399
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789139
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 155153832
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160975238
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143
N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 163519778
9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine
CID 70808691
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 154960895

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine (CID 170023651) is N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3cccc(-c4cccc5c4sc4ccccc45)c3-c3ccccc3)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
The InChIKey is BWIDZZUGVWTCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47NS/c1-67(2)59-34-17-30-53(45-21-8-4-9-22-45)65(59)58-42-41-50(43-60(58)67)68(49-39-37-46(38-40-49)52-29-15-26-47-25-14-28-51(63(47)52)44-19-6-3-7-20-44)61-35-18-31-55(64(61)48-23-10-5-11-24-48)57-33-16-32-56-54-27-12-13-36-62(54)69-66(56)57/h3-43H,1-2H3.
What are the key properties of N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine has a molecular weight of 898.19 g/mol, XLogP of 19.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170023651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).