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

C52H32N2O — CID 167138118

IUPAC21-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
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Oc5cc7c(c8cccc-6c58)c5ccccc5n7-c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C52H32N2O/c1-3-12-33(13-4-1)34-22-26-38(27-23-34)53-45-20-9-7-16-39(45)44-30-35(25-29-47(44)53)36-24-28-40-41-18-11-19-43-51-42-17-8-10-21-46(42)54(37-14-5-2-6-15-37)48(51)32-50(52(41)43)55-49(40)31-36/h1-32H
InChIKeyOCLFNCWMHDWMRJ-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.14
Rot. Bonds4

About 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

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 (PubChem CID 167138118) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name21-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
PubChem CID167138118
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name21-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
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Oc5cc7c(c8cccc-6c58)c5ccccc5n7-c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C52H32N2O/c1-3-12-33(13-4-1)34-22-26-38(27-23-34)53-45-20-9-7-16-39(45)44-30-35(25-29-47(44)53)36-24-28-40-41-18-11-19-43-51-42-17-8-10-21-46(42)54(37-14-5-2-6-15-37)48(51)32-50(52(41)43)55-49(40)31-36/h1-32H
InChIKeyOCLFNCWMHDWMRJ-UHFFFAOYSA-N
XLogP14.14
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.84
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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-[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
17-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-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 170532652
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-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 167137909
9-phenyl-3-(11-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-6-yl)carbazole
CID 118700467
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
21-naphthalen-2-yl-5-[3-(3-phenylphenyl)carbazol-9-yl]-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
CID 170448395
4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
CID 167138057
21-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-2-thia-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 170448329
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
21-(2,6-diphenylpyrimidin-4-yl)-17-(9-phenylcarbazol-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 167138042

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Oc5cc7c(c8cccc-6c58)c5ccccc5n7-c5ccccc5)ccc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is OCLFNCWMHDWMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-3-12-33(13-4-1)34-22-26-38(27-23-34)53-45-20-9-7-16-39(45)44-30-35(25-29-47(44)53)36-24-28-40-41-18-11-19-43-51-42-17-8-10-21-46(42)54(37-14-5-2-6-15-37)48(51)32-50(52(41)43)55-49(40)31-36/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 700.84 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167138118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).