6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine

C102H60N2O2 — CID 137493223

IUPAC6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine
SMILESc1ccc(N(c2ccc3c4c(ccc3c2)-c2cc3ccc(-c5cccc6c5oc5cccc(N(c7ccccc7)c7ccc8c9c(ccc8c7)-c7cc8ccccc8cc7C97c8ccccc8-c8ccccc87)c56)cc3cc2C42c3ccccc3-c3ccccc32)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C102H60N2O2/c1-3-23-68(24-4-1)103(72-47-52-81-80-31-13-18-39-94(80)105-96(81)60-72)70-45-50-73-65(54-70)43-48-83-86-57-63-41-42-64(53-67(63)59-92(86)102(99(73)83)89-36-16-11-29-78(89)79-30-12-17-37-90(79)102)75-32-19-33-84-97-93(38-20-40-95(97)106-100(75)84)104(69-25-5-2-6-26-69)71-46-51-74-66(55-71)44-49-82-85-56-61-21-7-8-22-62(61)58-91(85)101(98(74)82)87-34-14-9-27-76(87)77-28-10-15-35-88(77)101/h1-60H
InChIKeyMPRNXLJEEZGFBD-UHFFFAOYSA-N
MW1345.61 g/mol
LogP27.39
Rot. Bonds7

About 6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine

6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine (PubChem CID 137493223) has the molecular formula C102H60N2O2 and a molecular weight of 1345.61 g/mol. Its IUPAC name is 6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine.

Molecular Properties

Compound Name6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine
PubChem CID137493223
Molecular FormulaC102H60N2O2
Molecular Weight1345.61 g/mol
Exact Mass1344.47
IUPAC Name6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine
SMILESc1ccc(N(c2ccc3c4c(ccc3c2)-c2cc3ccc(-c5cccc6c5oc5cccc(N(c7ccccc7)c7ccc8c9c(ccc8c7)-c7cc8ccccc8cc7C97c8ccccc8-c8ccccc87)c56)cc3cc2C42c3ccccc3-c3ccccc32)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C102H60N2O2/c1-3-23-68(24-4-1)103(72-47-52-81-80-31-13-18-39-94(80)105-96(81)60-72)70-45-50-73-65(54-70)43-48-83-86-57-63-41-42-64(53-67(63)59-92(86)102(99(73)83)89-36-16-11-29-78(89)79-30-12-17-37-90(79)102)75-32-19-33-84-97-93(38-20-40-95(97)106-100(75)84)104(69-25-5-2-6-26-69)71-46-51-74-66(55-71)44-49-82-85-56-61-21-7-8-22-62(61)58-91(85)101(98(74)82)87-34-14-9-27-76(87)77-28-10-15-35-88(77)101/h1-60H
InChIKeyMPRNXLJEEZGFBD-UHFFFAOYSA-N
XLogP27.39
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001345.61
LogP ≤ 527.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine with MolForge

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Related Compounds

7-N',17-N'-di(dibenzofuran-1-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137492867
7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137494769
N-phenyl-N-(3-phenylphenyl)-7'-[3-[2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylanilino)phenyl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine
CID 137493832
N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177097029
1-N-dibenzofuran-3-yl-1-N-(9,9-diphenylfluoren-2-yl)-3-N-naphtho[1,2-b][1]benzofuran-7-yl-3-N-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine
CID 148833125
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-2-amine
CID 170676879
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 137392478
N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-amine
CID 140962656
N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 176588194
6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine
CID 137493794
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177113965
7-(11-phenylbenzo[a]fluoren-11-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-[9-(3-phenylphenyl)fluoren-9-yl]dibenzofuran-3-amine
CID 163721882

Frequently Asked Questions

What is the IUPAC name of 6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine?
The IUPAC name of 6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine (CID 137493223) is 6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine.
What is the SMILES notation for 6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine?
The canonical SMILES for 6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine is c1ccc(N(c2ccc3c4c(ccc3c2)-c2cc3ccc(-c5cccc6c5oc5cccc(N(c7ccccc7)c7ccc8c9c(ccc8c7)-c7cc8ccccc8cc7C97c8ccccc8-c8ccccc87)c56)cc3cc2C42c3ccccc3-c3ccccc32)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine?
The InChIKey is MPRNXLJEEZGFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H60N2O2/c1-3-23-68(24-4-1)103(72-47-52-81-80-31-13-18-39-94(80)105-96(81)60-72)70-45-50-73-65(54-70)43-48-83-86-57-63-41-42-64(53-67(63)59-92(86)102(99(73)83)89-36-16-11-29-78(89)79-30-12-17-37-90(79)102)75-32-19-33-84-97-93(38-20-40-95(97)106-100(75)84)104(69-25-5-2-6-26-69)71-46-51-74-66(55-71)44-49-82-85-56-61-21-7-8-22-62(61)58-91(85)101(98(74)82)87-34-14-9-27-76(87)77-28-10-15-35-88(77)101/h1-60H.
What are the key properties of 6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine?
6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine has a molecular weight of 1345.61 g/mol, XLogP of 27.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine is sourced from PubChem (CID 137493223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).