6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene

C60H35N3O3 — CID 166003071

IUPAC6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene
SMILESC1=Cc2c(c3ccccc3n2-c2ccc3c(c2)c2c4oc5c(ccc6c5c5ccccc5n6-c5ccc6oc7ccccc7c6c5)c4ccc2n3-c2ccc3oc4ccccc4c3c2)CC1
InChIInChI=1S/C60H35N3O3/c1-6-16-47-37(11-1)38-12-2-7-17-48(38)61(47)34-21-26-50-46(33-34)58-52(63(50)36-23-30-56-45(32-36)40-14-5-10-20-54(40)65-56)28-25-42-41-24-27-51-57(59(41)66-60(42)58)43-15-3-8-18-49(43)62(51)35-22-29-55-44(31-35)39-13-4-9-19-53(39)64-55/h1,3-11,13-33H,2,12H2
InChIKeyPXESJIILIUSWKD-UHFFFAOYSA-N
MW845.96 g/mol
LogP16.48
Rot. Bonds3

About 6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene

6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene (PubChem CID 166003071) has the molecular formula C60H35N3O3 and a molecular weight of 845.96 g/mol. Its IUPAC name is 6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene
PubChem CID166003071
Molecular FormulaC60H35N3O3
Molecular Weight845.96 g/mol
Exact Mass845.27
IUPAC Name6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene
SMILESC1=Cc2c(c3ccccc3n2-c2ccc3c(c2)c2c4oc5c(ccc6c5c5ccccc5n6-c5ccc6oc7ccccc7c6c5)c4ccc2n3-c2ccc3oc4ccccc4c3c2)CC1
InChIInChI=1S/C60H35N3O3/c1-6-16-47-37(11-1)38-12-2-7-17-48(38)61(47)34-21-26-50-46(33-34)58-52(63(50)36-23-30-56-45(32-36)40-14-5-10-20-54(40)65-56)28-25-42-41-24-27-51-57(59(41)66-60(42)58)43-15-3-8-18-49(43)62(51)35-22-29-55-44(31-35)39-13-4-9-19-53(39)64-55/h1,3-11,13-33H,2,12H2
InChIKeyPXESJIILIUSWKD-UHFFFAOYSA-N
XLogP16.48
TPSA54.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.96
LogP ≤ 516.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene with MolForge

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Related Compounds

12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole
CID 167029821
6-dibenzofuran-2-yl-24-(5,6-dihydronaphthalen-1-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;ethane
CID 144604354
5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888
6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
CID 118391237
6-(4-dibenzofuran-2-ylphenyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;ethane
CID 144604260
5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 171612138
N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine
CID 118651781
3-[6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 144585567
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 174291367
9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 171591736
6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
CID 163714938

Frequently Asked Questions

What is the IUPAC name of 6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene?
The IUPAC name of 6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene (CID 166003071) is 6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene is C1=Cc2c(c3ccccc3n2-c2ccc3c(c2)c2c4oc5c(ccc6c5c5ccccc5n6-c5ccc6oc7ccccc7c6c5)c4ccc2n3-c2ccc3oc4ccccc4c3c2)CC1.
What is the InChIKey of 6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene?
The InChIKey is PXESJIILIUSWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N3O3/c1-6-16-47-37(11-1)38-12-2-7-17-48(38)61(47)34-21-26-50-46(33-34)58-52(63(50)36-23-30-56-45(32-36)40-14-5-10-20-54(40)65-56)28-25-42-41-24-27-51-57(59(41)66-60(42)58)43-15-3-8-18-49(43)62(51)35-22-29-55-44(31-35)39-13-4-9-19-53(39)64-55/h1,3-11,13-33H,2,12H2.
What are the key properties of 6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene?
6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene has a molecular weight of 845.96 g/mol, XLogP of 16.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 166003071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).