N-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine

C71H40N2OS — CID 169023115

IUPACN-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2cccc3c2-c2c1ccc1c4ccccc4n(c21)-c1cc(-c2ccc4c(N(c5ccc6sc7ccccc7c6c5)c5cccc6oc7ccccc7c56)cccc4c2)ccc1-3
InChIInChI=1S/C71H40N2OS/c1-6-21-55-46(15-1)47-16-2-7-22-56(47)71(55)57-23-12-20-51-49-34-31-42(39-62(49)73-60-24-8-3-17-48(60)52-35-36-58(71)69(67(51)57)70(52)73)41-30-33-45-43(38-41)14-11-25-59(45)72(44-32-37-66-54(40-44)50-18-5-10-29-65(50)75-66)61-26-13-28-64-68(61)53-19-4-9-27-63(53)74-64/h1-40H
InChIKeyIFJMGRWRUBGMNA-UHFFFAOYSA-N
MW969.18 g/mol
LogP19.66
Rot. Bonds4

About N-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine

N-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine (PubChem CID 169023115) has the molecular formula C71H40N2OS and a molecular weight of 969.18 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine
PubChem CID169023115
Molecular FormulaC71H40N2OS
Molecular Weight969.18 g/mol
Exact Mass968.29
IUPAC NameN-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2cccc3c2-c2c1ccc1c4ccccc4n(c21)-c1cc(-c2ccc4c(N(c5ccc6sc7ccccc7c6c5)c5cccc6oc7ccccc7c56)cccc4c2)ccc1-3
InChIInChI=1S/C71H40N2OS/c1-6-21-55-46(15-1)47-16-2-7-22-56(47)71(55)57-23-12-20-51-49-34-31-42(39-62(49)73-60-24-8-3-17-48(60)52-35-36-58(71)69(67(51)57)70(52)73)41-30-33-45-43(38-41)14-11-25-59(45)72(44-32-37-66-54(40-44)50-18-5-10-29-65(50)75-66)61-26-13-28-64-68(61)53-19-4-9-27-63(53)74-64/h1-40H
InChIKeyIFJMGRWRUBGMNA-UHFFFAOYSA-N
XLogP19.66
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.18
LogP ≤ 519.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine with MolForge

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Related Compounds

N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine
CID 169023369
N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline
CID 167225442
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 161498713
N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine
CID 169023324
N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine
CID 165083383
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzofuran-1-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
CID 161075532
N-(2-phenylphenyl)-N-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-1-amine
CID 130463288
9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine
CID 164732018
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 157330942
N-[4-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine;N-[4-[3-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine;N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-[4-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 160839602
N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717052
N-(2-phenylphenyl)-N-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-1-amine
CID 130463327

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine (CID 169023115) is N-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine is c1ccc2c(c1)-c1ccccc1C21c2cccc3c2-c2c1ccc1c4ccccc4n(c21)-c1cc(-c2ccc4c(N(c5ccc6sc7ccccc7c6c5)c5cccc6oc7ccccc7c56)cccc4c2)ccc1-3.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine?
The InChIKey is IFJMGRWRUBGMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H40N2OS/c1-6-21-55-46(15-1)47-16-2-7-22-56(47)71(55)57-23-12-20-51-49-34-31-42(39-62(49)73-60-24-8-3-17-48(60)52-35-36-58(71)69(67(51)57)70(52)73)41-30-33-45-43(38-41)14-11-25-59(45)72(44-32-37-66-54(40-44)50-18-5-10-29-65(50)75-66)61-26-13-28-64-68(61)53-19-4-9-27-63(53)74-64/h1-40H.
What are the key properties of N-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine?
N-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine has a molecular weight of 969.18 g/mol, XLogP of 19.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-(6-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylnaphthalen-1-yl)dibenzofuran-1-amine is sourced from PubChem (CID 169023115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).