15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

C60H36N4O — CID 174349854

IUPAC15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5cc6c7ccccc7n(-c7ccccc7)c6cc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)oc5ccccc56)c4cc32)cc1
InChIInChI=1S/C60H36N4O/c1-3-15-37(16-4-1)61-51-23-11-8-20-42(51)47-33-49-50-34-48-43-21-9-12-24-52(43)62(38-17-5-2-6-18-38)56(48)36-58(50)64(57(49)35-55(47)61)39-28-30-54-46(31-39)41-19-7-13-25-53(41)63(54)40-27-29-45-44-22-10-14-26-59(44)65-60(45)32-40/h1-36H
InChIKeyMMNBQGQAYYBAAV-UHFFFAOYSA-N
MW828.98 g/mol
LogP15.97
Rot. Bonds4

About 15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (PubChem CID 174349854) has the molecular formula C60H36N4O and a molecular weight of 828.98 g/mol. Its IUPAC name is 15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.

Molecular Properties

Compound Name15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
PubChem CID174349854
Molecular FormulaC60H36N4O
Molecular Weight828.98 g/mol
Exact Mass828.29
IUPAC Name15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5cc6c7ccccc7n(-c7ccccc7)c6cc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)oc5ccccc56)c4cc32)cc1
InChIInChI=1S/C60H36N4O/c1-3-15-37(16-4-1)61-51-23-11-8-20-42(51)47-33-49-50-34-48-43-21-9-12-24-52(43)62(38-17-5-2-6-18-38)56(48)36-58(50)64(57(49)35-55(47)61)39-28-30-54-46(31-39)41-19-7-13-25-53(41)63(54)40-27-29-45-44-22-10-14-26-59(44)65-60(45)32-40/h1-36H
InChIKeyMMNBQGQAYYBAAV-UHFFFAOYSA-N
XLogP15.97
TPSA32.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.98
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene with MolForge

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Related Compounds

5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 122594976
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
3-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497222
5-dibenzofuran-3-yl-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-dibenzofuran-3-yl-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 163829612
5-dibenzofuran-3-yl-7-[4-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 164847658
5-dibenzofuran-3-yl-7-[3-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 171414735
30-(9-phenylcarbazol-2-yl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361078
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
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2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684

Frequently Asked Questions

What is the IUPAC name of 15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The IUPAC name of 15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (CID 174349854) is 15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.
What is the SMILES notation for 15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The canonical SMILES for 15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is c1ccc(-n2c3ccccc3c3cc4c5cc6c7ccccc7n(-c7ccccc7)c6cc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)oc5ccccc56)c4cc32)cc1.
What is the InChIKey of 15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The InChIKey is MMNBQGQAYYBAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4O/c1-3-15-37(16-4-1)61-51-23-11-8-20-42(51)47-33-49-50-34-48-43-21-9-12-24-52(43)62(38-17-5-2-6-18-38)56(48)36-58(50)64(57(49)35-55(47)61)39-28-30-54-46(31-39)41-19-7-13-25-53(41)63(54)40-27-29-45-44-22-10-14-26-59(44)65-60(45)32-40/h1-36H.
What are the key properties of 15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene has a molecular weight of 828.98 g/mol, XLogP of 15.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 174349854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).