N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine

C69H43NOS — CID 177122214

IUPACN-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccc(-c5cccc6c5sc5c7ccccc7ccc65)cc4)cccc32)cc1
InChIInChI=1S/C69H43NOS/c1-3-18-48(19-4-1)69(49-20-5-2-6-21-49)61-29-12-11-24-60(61)64-62(69)30-15-31-63(64)70(50-38-32-46(33-39-50)53-25-13-27-56-57-42-36-44-16-7-9-22-52(44)66(57)71-65(53)56)51-40-34-47(35-41-51)55-26-14-28-58-59-43-37-45-17-8-10-23-54(45)68(59)72-67(55)58/h1-43H
InChIKeyHVXVHYOGGIIFFE-UHFFFAOYSA-N
MW934.18 g/mol
LogP19.43
Rot. Bonds7

About N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine

N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 177122214) has the molecular formula C69H43NOS and a molecular weight of 934.18 g/mol. Its IUPAC name is N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID177122214
Molecular FormulaC69H43NOS
Molecular Weight934.18 g/mol
Exact Mass933.31
IUPAC NameN-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccc(-c5cccc6c5sc5c7ccccc7ccc65)cc4)cccc32)cc1
InChIInChI=1S/C69H43NOS/c1-3-18-48(19-4-1)69(49-20-5-2-6-21-49)61-29-12-11-24-60(61)64-62(69)30-15-31-63(64)70(50-38-32-46(33-39-50)53-25-13-27-56-57-42-36-44-16-7-9-22-52(44)66(57)71-65(53)56)51-40-34-47(35-41-51)55-26-14-28-58-59-43-37-45-17-8-10-23-54(45)68(59)72-67(55)58/h1-43H
InChIKeyHVXVHYOGGIIFFE-UHFFFAOYSA-N
XLogP19.43
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.18
LogP ≤ 519.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine with MolForge

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Related Compounds

N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177121766
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 177121648
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177121861
N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-4-amine
CID 177121372
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 177121793
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine
CID 177121684
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-3-amine
CID 177122205
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121797
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(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine
CID 164972725
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine
CID 177122158
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122140
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 172544603

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 177122214) is N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccc(-c5cccc6c5sc5c7ccccc7ccc65)cc4)cccc32)cc1.
What is the InChIKey of N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is HVXVHYOGGIIFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43NOS/c1-3-18-48(19-4-1)69(49-20-5-2-6-21-49)61-29-12-11-24-60(61)64-62(69)30-15-31-63(64)70(50-38-32-46(33-39-50)53-25-13-27-56-57-42-36-44-16-7-9-22-52(44)66(57)71-65(53)56)51-40-34-47(35-41-51)55-26-14-28-58-59-43-37-45-17-8-10-23-54(45)68(59)72-67(55)58/h1-43H.
What are the key properties of N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine?
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine has a molecular weight of 934.18 g/mol, XLogP of 19.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 177122214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).