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

C69H43NOS — CID 177121648

IUPACN-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccccc4-c4cccc5c4sc4c6ccccc6ccc54)ccc32)cc1
InChIInChI=1S/C69H43NOS/c1-3-19-47(20-4-1)69(48-21-5-2-6-22-48)62-31-13-11-25-54(62)61-43-50(39-42-63(61)69)70(49-37-33-46(34-38-49)52-27-15-28-56-57-40-35-44-17-7-9-23-51(44)66(57)71-65(52)56)64-32-14-12-26-55(64)58-29-16-30-59-60-41-36-45-18-8-10-24-53(45)67(60)72-68(58)59/h1-43H
InChIKeyUDUKIXUJCHOALB-UHFFFAOYSA-N
MW934.18 g/mol
LogP19.43
Rot. Bonds7

About 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

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 (PubChem CID 177121648) 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-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine
PubChem CID177121648
Molecular FormulaC69H43NOS
Molecular Weight934.18 g/mol
Exact Mass933.31
IUPAC NameN-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccccc4-c4cccc5c4sc4c6ccccc6ccc54)ccc32)cc1
InChIInChI=1S/C69H43NOS/c1-3-19-47(20-4-1)69(48-21-5-2-6-22-48)62-31-13-11-25-54(62)61-43-50(39-42-63(61)69)70(49-37-33-46(34-38-49)52-27-15-28-56-57-40-35-44-17-7-9-23-51(44)66(57)71-65(52)56)64-32-14-12-26-55(64)58-29-16-30-59-60-41-36-45-18-8-10-24-53(45)67(60)72-68(58)59/h1-43H
InChIKeyUDUKIXUJCHOALB-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-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine with MolForge

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Related Compounds

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
2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121467
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-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 177121964
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177121766
N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 166939749
2-(9,9-diphenylfluoren-3-yl)-N-[4-(4-methoxyphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
CID 177121581
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
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-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
CID 177121900
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline
CID 118616110
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177121861

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccccc4-c4cccc5c4sc4c6ccccc6ccc54)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is UDUKIXUJCHOALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43NOS/c1-3-19-47(20-4-1)69(48-21-5-2-6-22-48)62-31-13-11-25-54(62)61-43-50(39-42-63(61)69)70(49-37-33-46(34-38-49)52-27-15-28-56-57-40-35-44-17-7-9-23-51(44)66(57)71-65(52)56)64-32-14-12-26-55(64)58-29-16-30-59-60-41-36-45-18-8-10-24-53(45)67(60)72-68(58)59/h1-43H.
What are the key properties of 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?
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 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-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 177121648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).