23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene

C34H21NO — CID 122465779

IUPAC23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5oc6ccc7ccccc7c6c5c43)cc2)cc1
InChIInChI=1S/C34H21NO/c1-2-8-22(9-3-1)23-14-17-25(18-15-23)35-29-13-7-6-12-27(29)28-19-21-31-33(34(28)35)32-26-11-5-4-10-24(26)16-20-30(32)36-31/h1-21H
InChIKeyXHCCGNRPVWUSTJ-UHFFFAOYSA-N
MW459.55 g/mol
LogP9.50
Rot. Bonds2

About 23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene

23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene (PubChem CID 122465779) has the molecular formula C34H21NO and a molecular weight of 459.55 g/mol. Its IUPAC name is 23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene.

Molecular Properties

Compound Name23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
PubChem CID122465779
Molecular FormulaC34H21NO
Molecular Weight459.55 g/mol
Exact Mass459.16
IUPAC Name23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5oc6ccc7ccccc7c6c5c43)cc2)cc1
InChIInChI=1S/C34H21NO/c1-2-8-22(9-3-1)23-14-17-25(18-15-23)35-29-13-7-6-12-27(29)28-19-21-31-33(34(28)35)32-26-11-5-4-10-24(26)16-20-30(32)36-31/h1-21H
InChIKeyXHCCGNRPVWUSTJ-UHFFFAOYSA-N
XLogP9.50
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene with MolForge

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Related Compounds

14-phenyl-3-(4-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 154589079
3-(4-phenylphenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 118361110
3-[3-(4-phenylphenyl)phenyl]-14-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 122465787
3,24-bis(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 146253558
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163629204
23-(4-phenylphenyl)-14-oxa-23-azaheptacyclo[19.11.0.02,7.08,13.015,20.022,30.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22(30),24,26,28,31-pentadecaene
CID 118614797
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
11-(4-naphthalen-2-ylphenyl)-15-phenyl-24-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 118546092
N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 140913685
N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 140913945
9,24-bis(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146253453
1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163904282

Frequently Asked Questions

What is the IUPAC name of 23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene?
The IUPAC name of 23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene (CID 122465779) is 23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene.
What is the SMILES notation for 23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene?
The canonical SMILES for 23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5oc6ccc7ccccc7c6c5c43)cc2)cc1.
What is the InChIKey of 23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene?
The InChIKey is XHCCGNRPVWUSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21NO/c1-2-8-22(9-3-1)23-14-17-25(18-15-23)35-29-13-7-6-12-27(29)28-19-21-31-33(34(28)35)32-26-11-5-4-10-24(26)16-20-30(32)36-31/h1-21H.
What are the key properties of 23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene?
23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene has a molecular weight of 459.55 g/mol, XLogP of 9.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene is sourced from PubChem (CID 122465779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).