21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene

C50H30N2O — CID 167138125

IUPAC21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)Oc4cc6c(c7cccc-5c47)c4ccccc4n6-c4cccc5ccccc45)cccc32)cc1
InChIInChI=1S/C50H30N2O/c1-2-15-33(16-3-1)51-42-23-8-6-18-38(42)48-35(20-12-26-44(48)51)32-27-28-36-37-21-11-22-40-49-39-19-7-9-24-43(39)52(41-25-10-14-31-13-4-5-17-34(31)41)45(49)30-47(50(37)40)53-46(36)29-32/h1-30H
InChIKeyROBBQAKERDBBLZ-UHFFFAOYSA-N
MW674.80 g/mol
LogP13.63
Rot. Bonds3

About 21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene

21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene (PubChem CID 167138125) has the molecular formula C50H30N2O and a molecular weight of 674.80 g/mol. Its IUPAC name is 21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene.

Molecular Properties

Compound Name21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
PubChem CID167138125
Molecular FormulaC50H30N2O
Molecular Weight674.80 g/mol
Exact Mass674.24
IUPAC Name21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)Oc4cc6c(c7cccc-5c47)c4ccccc4n6-c4cccc5ccccc45)cccc32)cc1
InChIInChI=1S/C50H30N2O/c1-2-15-33(16-3-1)51-42-23-8-6-18-38(42)48-35(20-12-26-44(48)51)32-27-28-36-37-21-11-22-40-49-39-19-7-9-24-43(39)52(41-25-10-14-31-13-4-5-17-34(31)41)45(49)30-47(50(37)40)53-46(36)29-32/h1-30H
InChIKeyROBBQAKERDBBLZ-UHFFFAOYSA-N
XLogP13.63
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.80
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene with MolForge

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Related Compounds

21-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 167137688
21-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 167138118
18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 167137905
21-naphthalen-1-yl-17-(9-phenylcarbazol-3-yl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15(20),16,18-undecaene
CID 167137798
4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole
CID 118860881
9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
CID 134369784
10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-7-phenylbenzo[c]carbazole
CID 170041969
4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole
CID 146262872
2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole
CID 131979777
4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
CID 170386628
21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene
CID 167138237
21-phenyl-18-[9-(4-phenylphenyl)carbazol-3-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 170448253

Frequently Asked Questions

What is the IUPAC name of 21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene?
The IUPAC name of 21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene (CID 167138125) is 21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene.
What is the SMILES notation for 21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene?
The canonical SMILES for 21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene is c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)Oc4cc6c(c7cccc-5c47)c4ccccc4n6-c4cccc5ccccc45)cccc32)cc1.
What is the InChIKey of 21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene?
The InChIKey is ROBBQAKERDBBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O/c1-2-15-33(16-3-1)51-42-23-8-6-18-38(42)48-35(20-12-26-44(48)51)32-27-28-36-37-21-11-22-40-49-39-19-7-9-24-43(39)52(41-25-10-14-31-13-4-5-17-34(31)41)45(49)30-47(50(37)40)53-46(36)29-32/h1-30H.
What are the key properties of 21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene?
21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene has a molecular weight of 674.80 g/mol, XLogP of 13.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene is sourced from PubChem (CID 167138125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).