7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene

C58H35N3O2 — CID 170651818

IUPAC7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
SMILESc1ccc2c(-n3c4ccccc4c4ccc(-n5c6cccc(c6)c6cccc(c6)n(-c6ccc7c(c6)oc6ccccc67)c6ccc7oc8ccc5cc8c7c6)cc43)cccc2c1
InChIInChI=1S/C58H35N3O2/c1-2-16-45-36(10-1)11-9-20-52(45)61-53-19-5-3-17-46(53)47-26-22-43(34-54(47)61)59-39-14-7-12-37(30-39)38-13-8-15-40(31-38)60(44-23-27-49-48-18-4-6-21-55(48)63-58(49)35-44)42-25-29-57-51(33-42)50-32-41(59)24-28-56(50)62-57/h1-35H
InChIKeySLMQQHPYWRRIJT-UHFFFAOYSA-N
MW805.94 g/mol
LogP15.90
Rot. Bonds3

About 7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene

7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene (PubChem CID 170651818) has the molecular formula C58H35N3O2 and a molecular weight of 805.94 g/mol. Its IUPAC name is 7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene.

Molecular Properties

Compound Name7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
PubChem CID170651818
Molecular FormulaC58H35N3O2
Molecular Weight805.94 g/mol
Exact Mass805.27
IUPAC Name7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
SMILESc1ccc2c(-n3c4ccccc4c4ccc(-n5c6cccc(c6)c6cccc(c6)n(-c6ccc7c(c6)oc6ccccc67)c6ccc7oc8ccc5cc8c7c6)cc43)cccc2c1
InChIInChI=1S/C58H35N3O2/c1-2-16-45-36(10-1)11-9-20-52(45)61-53-19-5-3-17-46(53)47-26-22-43(34-54(47)61)59-39-14-7-12-37(30-39)38-13-8-15-40(31-38)60(44-23-27-49-48-18-4-6-21-55(48)63-58(49)35-44)42-25-29-57-51(33-42)50-32-41(59)24-28-56(50)62-57/h1-35H
InChIKeySLMQQHPYWRRIJT-UHFFFAOYSA-N
XLogP15.90
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.94
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene with MolForge

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Related Compounds

7-(9-naphthalen-1-ylcarbazol-2-yl)-18-(9-phenylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651937
7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170652102
2-(9-naphthalen-1-ylcarbazol-2-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
CID 170651807
2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-2-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
CID 170651999
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-naphthalen-1-ylcarbazole
CID 70658967
7-(9,9-dimethylfluoren-2-yl)-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651740
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
CID 170652031
7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651831
2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-1-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-2-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161318809
2-naphthalen-2-yl-13-(9-naphthalen-1-ylcarbazol-1-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
CID 170651943
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305806

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
The IUPAC name of 7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene (CID 170651818) is 7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene.
What is the SMILES notation for 7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
The canonical SMILES for 7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene is c1ccc2c(-n3c4ccccc4c4ccc(-n5c6cccc(c6)c6cccc(c6)n(-c6ccc7c(c6)oc6ccccc67)c6ccc7oc8ccc5cc8c7c6)cc43)cccc2c1.
What is the InChIKey of 7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
The InChIKey is SLMQQHPYWRRIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O2/c1-2-16-45-36(10-1)11-9-20-52(45)61-53-19-5-3-17-46(53)47-26-22-43(34-54(47)61)59-39-14-7-12-37(30-39)38-13-8-15-40(31-38)60(44-23-27-49-48-18-4-6-21-55(48)63-58(49)35-44)42-25-29-57-51(33-42)50-32-41(59)24-28-56(50)62-57/h1-35H.
What are the key properties of 7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene has a molecular weight of 805.94 g/mol, XLogP of 15.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene is sourced from PubChem (CID 170651818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).