2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine

C118H76F4N2O2S — CID 177262639

IUPAC2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6cccc(-c7ccc(F)cc7)c6)cc5)c5ccc6cc7sc8ccc(N(c9ccc(-c%10cccc(-c%11ccc(F)cc%11)c%10)cc9)c9ccc%10c(c9)C(c9ccc(F)cc9)(c9ccc(Oc%11ccc(C=C)cc%11)cc9)c9ccccc9-%10)cc8c7cc6c5)cc43)cc2)cc1
InChIInChI=1S/C118H76F4N2O2S/c1-3-75-19-56-101(57-20-75)125-103-60-36-89(37-61-103)117(87-32-44-93(121)45-33-87)111-17-7-5-15-105(111)107-64-53-99(73-113(107)117)123(95-48-27-79(28-49-95)83-13-9-11-81(67-83)77-23-40-91(119)41-24-77)97-52-31-85-71-116-109(70-86(85)69-97)110-72-98(55-66-115(110)127-116)124(96-50-29-80(30-51-96)84-14-10-12-82(68-84)78-25-42-92(120)43-26-78)100-54-65-108-106-16-6-8-18-112(106)118(114(108)74-100,88-34-46-94(122)47-35-88)90-38-62-104(63-39-90)126-102-58-21-76(4-2)22-59-102/h3-74H,1-2H2
InChIKeyZNIZQVWFDFURNS-UHFFFAOYSA-N
MW1661.98 g/mol
LogP32.97
Rot. Bonds20

About 2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine

2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine (PubChem CID 177262639) has the molecular formula C118H76F4N2O2S and a molecular weight of 1661.98 g/mol. Its IUPAC name is 2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine.

Molecular Properties

Compound Name2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine
PubChem CID177262639
Molecular FormulaC118H76F4N2O2S
Molecular Weight1661.98 g/mol
Exact Mass1660.56
IUPAC Name2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6cccc(-c7ccc(F)cc7)c6)cc5)c5ccc6cc7sc8ccc(N(c9ccc(-c%10cccc(-c%11ccc(F)cc%11)c%10)cc9)c9ccc%10c(c9)C(c9ccc(F)cc9)(c9ccc(Oc%11ccc(C=C)cc%11)cc9)c9ccccc9-%10)cc8c7cc6c5)cc43)cc2)cc1
InChIInChI=1S/C118H76F4N2O2S/c1-3-75-19-56-101(57-20-75)125-103-60-36-89(37-61-103)117(87-32-44-93(121)45-33-87)111-17-7-5-15-105(111)107-64-53-99(73-113(107)117)123(95-48-27-79(28-49-95)83-13-9-11-81(67-83)77-23-40-91(119)41-24-77)97-52-31-85-71-116-109(70-86(85)69-97)110-72-98(55-66-115(110)127-116)124(96-50-29-80(30-51-96)84-14-10-12-82(68-84)78-25-42-92(120)43-26-78)100-54-65-108-106-16-6-8-18-112(106)118(114(108)74-100,88-34-46-94(122)47-35-88)90-38-62-104(63-39-90)126-102-58-21-76(4-2)22-59-102/h3-74H,1-2H2
InChIKeyZNIZQVWFDFURNS-UHFFFAOYSA-N
XLogP32.97
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001661.98
LogP ≤ 532.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine with MolForge

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Related Compounds

3-N,7-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzothiophene-3,7-diamine
CID 177262791
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-[4-[4-[9-[4-[4-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)anilino]phenyl]fluoren-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]phenyl]-N,9-bis(4-fluorophenyl)fluoren-2-amine
CID 172547006
9-(2,6-difluorophenyl)-N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[3-(4-fluorophenyl)phenyl]phenyl]fluoren-2-amine
CID 170541530
2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-2,8-diamine
CID 177262708
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine
CID 166686283
9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 170541545
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[3-[9-[3-(N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]anilino)phenyl]fluoren-9-yl]phenyl]anilino)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 172547054
9-(2,6-difluorophenyl)-N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine
CID 167160935
9-(2,6-difluorophenyl)-N-[4-[4-[N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine
CID 169294879
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-[N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine
CID 169294903
9-(2,6-difluorophenyl)-N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 170541591
2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,9-N-bis(4-fluorophenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine
CID 177262839

Frequently Asked Questions

What is the IUPAC name of 2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine?
The IUPAC name of 2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine (CID 177262639) is 2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine.
What is the SMILES notation for 2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine?
The canonical SMILES for 2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine is C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6cccc(-c7ccc(F)cc7)c6)cc5)c5ccc6cc7sc8ccc(N(c9ccc(-c%10cccc(-c%11ccc(F)cc%11)c%10)cc9)c9ccc%10c(c9)C(c9ccc(F)cc9)(c9ccc(Oc%11ccc(C=C)cc%11)cc9)c9ccccc9-%10)cc8c7cc6c5)cc43)cc2)cc1.
What is the InChIKey of 2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine?
The InChIKey is ZNIZQVWFDFURNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H76F4N2O2S/c1-3-75-19-56-101(57-20-75)125-103-60-36-89(37-61-103)117(87-32-44-93(121)45-33-87)111-17-7-5-15-105(111)107-64-53-99(73-113(107)117)123(95-48-27-79(28-49-95)83-13-9-11-81(67-83)77-23-40-91(119)41-24-77)97-52-31-85-71-116-109(70-86(85)69-97)110-72-98(55-66-115(110)127-116)124(96-50-29-80(30-51-96)84-14-10-12-82(68-84)78-25-42-92(120)43-26-78)100-54-65-108-106-16-6-8-18-112(106)118(114(108)74-100,88-34-46-94(122)47-35-88)90-38-62-104(63-39-90)126-102-58-21-76(4-2)22-59-102/h3-74H,1-2H2.
What are the key properties of 2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine?
2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine has a molecular weight of 1661.98 g/mol, XLogP of 32.97, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,9-N-bis[4-[3-(4-fluorophenyl)phenyl]phenyl]naphtho[2,3-b][1]benzothiole-2,9-diamine is sourced from PubChem (CID 177262639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).