N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine

C196H133N3OS — CID 158922707

IUPACN-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc3)cc21.c1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc(N(c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)c1.c1ccc(-c2ccccc2N(c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)c2cccc(-c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C68H47N.C67H47NO.C61H39NS/c1-67(2)64-42-48(52-29-17-21-44-20-6-7-24-51(44)52)34-37-57(64)58-38-36-50(43-65(58)67)69(66-33-15-11-25-53(66)45-18-4-3-5-19-45)49-23-16-22-46(40-49)47-35-39-63-59(41-47)56-28-10-14-32-62(56)68(63)60-30-12-8-26-54(60)55-27-9-13-31-61(55)68;1-12-36-66(37-13-1)58-25-7-2-20-50(58)54-33-32-49(42-63(54)66)68(48-19-15-17-44(39-48)46-31-35-65-57(41-46)55-24-6-11-29-64(55)69-65)47-18-14-16-43(38-47)45-30-34-62-56(40-45)53-23-5-10-28-61(53)67(62)59-26-8-3-21-51(59)52-22-4-9-27-60(52)67;1-2-17-40(18-3-1)46-23-7-12-32-57(46)62(45-22-15-20-43(38-45)47-28-16-34-59-60(47)51-27-8-13-33-58(51)63-59)44-21-14-19-41(37-44)42-35-36-56-52(39-42)50-26-6-11-31-55(50)61(56)53-29-9-4-24-48(53)49-25-5-10-30-54(49)61/h3-43H,1-2H3;2-11,14-35,38-42H,1,12-13,36-37H2;1-39H
InChIKeyJIAQPCADKGRJMT-UHFFFAOYSA-N
MW2578.31 g/mol
LogP52.79
Rot. Bonds17

About N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine

N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine (PubChem CID 158922707) has the molecular formula C196H133N3OS and a molecular weight of 2578.31 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
PubChem CID158922707
Molecular FormulaC196H133N3OS
Molecular Weight2578.31 g/mol
Exact Mass2576.02
IUPAC NameN-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc3)cc21.c1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc(N(c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)c1.c1ccc(-c2ccccc2N(c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)c2cccc(-c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C68H47N.C67H47NO.C61H39NS/c1-67(2)64-42-48(52-29-17-21-44-20-6-7-24-51(44)52)34-37-57(64)58-38-36-50(43-65(58)67)69(66-33-15-11-25-53(66)45-18-4-3-5-19-45)49-23-16-22-46(40-49)47-35-39-63-59(41-47)56-28-10-14-32-62(56)68(63)60-30-12-8-26-54(60)55-27-9-13-31-61(55)68;1-12-36-66(37-13-1)58-25-7-2-20-50(58)54-33-32-49(42-63(54)66)68(48-19-15-17-44(39-48)46-31-35-65-57(41-46)55-24-6-11-29-64(55)69-65)47-18-14-16-43(38-47)45-30-34-62-56(40-45)53-23-5-10-28-61(53)67(62)59-26-8-3-21-51(59)52-22-4-9-27-60(52)67;1-2-17-40(18-3-1)46-23-7-12-32-57(46)62(45-22-15-20-43(38-45)47-28-16-34-59-60(47)51-27-8-13-33-58(51)63-59)44-21-14-19-41(37-44)42-35-36-56-52(39-42)50-26-6-11-31-55(50)61(56)53-29-9-4-24-48(53)49-25-5-10-30-54(49)61/h3-43H,1-2H3;2-11,14-35,38-42H,1,12-13,36-37H2;1-39H
InChIKeyJIAQPCADKGRJMT-UHFFFAOYSA-N
XLogP52.79
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms201
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002578.31
LogP ≤ 552.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine (CID 158922707) is N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine is CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc3)cc21.c1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc(N(c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)c1.c1ccc(-c2ccccc2N(c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)c2cccc(-c3cccc4sc5ccccc5c34)c2)cc1.
What is the InChIKey of N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine?
The InChIKey is JIAQPCADKGRJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N.C67H47NO.C61H39NS/c1-67(2)64-42-48(52-29-17-21-44-20-6-7-24-51(44)52)34-37-57(64)58-38-36-50(43-65(58)67)69(66-33-15-11-25-53(66)45-18-4-3-5-19-45)49-23-16-22-46(40-49)47-35-39-63-59(41-47)56-28-10-14-32-62(56)68(63)60-30-12-8-26-54(60)55-27-9-13-31-61(55)68;1-12-36-66(37-13-1)58-25-7-2-20-50(58)54-33-32-49(42-63(54)66)68(48-19-15-17-44(39-48)46-31-35-65-57(41-46)55-24-6-11-29-64(55)69-65)47-18-14-16-43(38-47)45-30-34-62-56(40-45)53-23-5-10-28-61(53)67(62)59-26-8-3-21-51(59)52-22-4-9-27-60(52)67;1-2-17-40(18-3-1)46-23-7-12-32-57(46)62(45-22-15-20-43(38-45)47-28-16-34-59-60(47)51-27-8-13-33-58(51)63-59)44-21-14-19-41(37-44)42-35-36-56-52(39-42)50-26-6-11-31-55(50)61(56)53-29-9-4-24-48(53)49-25-5-10-30-54(49)61/h3-43H,1-2H3;2-11,14-35,38-42H,1,12-13,36-37H2;1-39H.
What are the key properties of N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine?
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine has a molecular weight of 2578.31 g/mol, XLogP of 52.79, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-2-phenyl-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]aniline;9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 158922707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).