25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene]

C98H56N2O3 — CID 149087108

IUPAC25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene]
SMILESc1ccc2c(c1)Oc1cc3c(cc1C21c2ccccc2-c2ccccc21)c1c2ccccc2ccc1n3-c1ccc(-c2ccc3c(-c4ccc5c(ccc6c5c5cc7c(cc5n6-c5ccc6c(c5)oc5ccccc56)Oc5ccccc5C75c6ccccc6-c6ccccc65)c4)cccc3c2)cc1
InChIInChI=1S/C98H56N2O3/c1-2-20-67-58(18-1)40-48-85-95(67)75-53-83-93(102-90-34-15-12-31-81(90)97(83)77-27-8-3-21-69(77)70-22-4-9-28-78(70)97)55-87(75)99(85)63-42-36-57(37-43-63)59-38-45-66-60(50-59)19-17-26-65(66)61-39-46-68-62(51-61)41-49-86-96(68)76-54-84-94(56-88(76)100(86)64-44-47-74-73-25-7-14-33-89(73)101-92(74)52-64)103-91-35-16-13-32-82(91)98(84)79-29-10-5-23-71(79)72-24-6-11-30-80(72)98/h1-56H
InChIKeyQRLVBVQHCIAMTF-UHFFFAOYSA-N
MW1309.54 g/mol
LogP25.51
Rot. Bonds4

About 25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene]

25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene] (PubChem CID 149087108) has the molecular formula C98H56N2O3 and a molecular weight of 1309.54 g/mol. Its IUPAC name is 25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene].

Molecular Properties

Compound Name25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene]
PubChem CID149087108
Molecular FormulaC98H56N2O3
Molecular Weight1309.54 g/mol
Exact Mass1308.43
IUPAC Name25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene]
SMILESc1ccc2c(c1)Oc1cc3c(cc1C21c2ccccc2-c2ccccc21)c1c2ccccc2ccc1n3-c1ccc(-c2ccc3c(-c4ccc5c(ccc6c5c5cc7c(cc5n6-c5ccc6c(c5)oc5ccccc56)Oc5ccccc5C75c6ccccc6-c6ccccc65)c4)cccc3c2)cc1
InChIInChI=1S/C98H56N2O3/c1-2-20-67-58(18-1)40-48-85-95(67)75-53-83-93(102-90-34-15-12-31-81(90)97(83)77-27-8-3-21-69(77)70-22-4-9-28-78(70)97)55-87(75)99(85)63-42-36-57(37-43-63)59-38-45-66-60(50-59)19-17-26-65(66)61-39-46-68-62(51-61)41-49-86-96(68)76-54-84-94(56-88(76)100(86)64-44-47-74-73-25-7-14-33-89(73)101-92(74)52-64)103-91-35-16-13-32-82(91)98(84)79-29-10-5-23-71(79)72-24-6-11-30-80(72)98/h1-56H
InChIKeyQRLVBVQHCIAMTF-UHFFFAOYSA-N
XLogP25.51
TPSA41.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001309.54
LogP ≤ 525.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene] with MolForge

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Related Compounds

12-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 170042206
25-dibenzofuran-2-ylspiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-dibenzofuran-3-ylspiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(4-naphthalen-2-ylphenyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]
CID 159858787
7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole
CID 170042086
25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]
CID 152846717
7-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166737834
11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole
CID 170037998
2-[9-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(7-dibenzofuran-2-ylphenanthren-2-yl)carbazol-4-yl]-9-phenylcarbazole;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-2-phenyl-5-(9-phenylcarbazol-2-yl)carbazole;2-[9-(7'-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazol-4-yl]-9-phenylcarbazole
CID 167545194
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine
CID 167038212
5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole
CID 170038082
7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134516497
4-dibenzofuran-3-yl-2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 158777118

Frequently Asked Questions

What is the IUPAC name of 25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene]?
The IUPAC name of 25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene] (CID 149087108) is 25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene].
What is the SMILES notation for 25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene]?
The canonical SMILES for 25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene] is c1ccc2c(c1)Oc1cc3c(cc1C21c2ccccc2-c2ccccc21)c1c2ccccc2ccc1n3-c1ccc(-c2ccc3c(-c4ccc5c(ccc6c5c5cc7c(cc5n6-c5ccc6c(c5)oc5ccccc56)Oc5ccccc5C75c6ccccc6-c6ccccc65)c4)cccc3c2)cc1.
What is the InChIKey of 25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene]?
The InChIKey is QRLVBVQHCIAMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H56N2O3/c1-2-20-67-58(18-1)40-48-85-95(67)75-53-83-93(102-90-34-15-12-31-81(90)97(83)77-27-8-3-21-69(77)70-22-4-9-28-78(70)97)55-87(75)99(85)63-42-36-57(37-43-63)59-38-45-66-60(50-59)19-17-26-65(66)61-39-46-68-62(51-61)41-49-86-96(68)76-54-84-94(56-88(76)100(86)64-44-47-74-73-25-7-14-33-89(73)101-92(74)52-64)103-91-35-16-13-32-82(91)98(84)79-29-10-5-23-71(79)72-24-6-11-30-80(72)98/h1-56H.
What are the key properties of 25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene]?
25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene] has a molecular weight of 1309.54 g/mol, XLogP of 25.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene] is sourced from PubChem (CID 149087108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).