N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine

C74H47NOS — CID 169022179

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c5oc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C74H47NOS/c1-4-21-49(22-5-1)73(50-23-6-2-7-24-50)64-34-15-10-29-58(64)59-44-43-53(46-67(59)73)75(52-41-39-48(40-42-52)55-32-20-33-62-61-31-14-19-38-70(61)77-72(55)62)54-45-63-60-30-13-18-37-69(60)76-71(63)68(47-54)74(51-25-8-3-9-26-51)65-35-16-11-27-56(65)57-28-12-17-36-66(57)74/h1-47H
InChIKeyMEEZUZWMSMLBRD-UHFFFAOYSA-N
MW998.26 g/mol
LogP19.82
Rot. Bonds8

About N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine

N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine (PubChem CID 169022179) has the molecular formula C74H47NOS and a molecular weight of 998.26 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
PubChem CID169022179
Molecular FormulaC74H47NOS
Molecular Weight998.26 g/mol
Exact Mass997.34
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c5oc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C74H47NOS/c1-4-21-49(22-5-1)73(50-23-6-2-7-24-50)64-34-15-10-29-58(64)59-44-43-53(46-67(59)73)75(52-41-39-48(40-42-52)55-32-20-33-62-61-31-14-19-38-70(61)77-72(55)62)54-45-63-60-30-13-18-37-69(60)76-71(63)68(47-54)74(51-25-8-3-9-26-51)65-35-16-11-27-56(65)57-28-12-17-36-66(57)74/h1-47H
InChIKeyMEEZUZWMSMLBRD-UHFFFAOYSA-N
XLogP19.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.26
LogP ≤ 519.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 169021961
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022287
N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593263
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121424800
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine
CID 164981075
4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381304
N-(4-dibenzofuran-4-ylphenyl)-3,5-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161165341
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425117
N-(3-dibenzofuran-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-4-amine
CID 162115385
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593367
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline
CID 158195164

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine (CID 169022179) is N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c5oc6ccccc6c5c4)cc32)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine?
The InChIKey is MEEZUZWMSMLBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H47NOS/c1-4-21-49(22-5-1)73(50-23-6-2-7-24-50)64-34-15-10-29-58(64)59-44-43-53(46-67(59)73)75(52-41-39-48(40-42-52)55-32-20-33-62-61-31-14-19-38-70(61)77-72(55)62)54-45-63-60-30-13-18-37-69(60)76-71(63)68(47-54)74(51-25-8-3-9-26-51)65-35-16-11-27-56(65)57-28-12-17-36-66(57)74/h1-47H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine?
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine has a molecular weight of 998.26 g/mol, XLogP of 19.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine is sourced from PubChem (CID 169022179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).