19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene

C38H23NO — CID 142289915

IUPAC19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(ccc6ccc7c8ccccc8oc7c65)c43)cc2)cc1
InChIInChI=1S/C38H23NO/c1-2-8-24(9-3-1)25-14-18-27(19-15-25)39-34-12-6-4-10-28(34)31-23-22-30-32(37(31)39)20-16-26-17-21-33-29-11-5-7-13-35(29)40-38(33)36(26)30/h1-23H
InChIKeyRZNRWGLEEVOHER-UHFFFAOYSA-N
MW509.61 g/mol
LogP10.66
Rot. Bonds2

About 19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene

19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene (PubChem CID 142289915) has the molecular formula C38H23NO and a molecular weight of 509.61 g/mol. Its IUPAC name is 19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene.

Molecular Properties

Compound Name19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene
PubChem CID142289915
Molecular FormulaC38H23NO
Molecular Weight509.61 g/mol
Exact Mass509.18
IUPAC Name19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(ccc6ccc7c8ccccc8oc7c65)c43)cc2)cc1
InChIInChI=1S/C38H23NO/c1-2-8-24(9-3-1)25-14-18-27(19-15-25)39-34-12-6-4-10-28(34)31-23-22-30-32(37(31)39)20-16-26-17-21-33-29-11-5-7-13-35(29)40-38(33)36(26)30/h1-23H
InChIKeyRZNRWGLEEVOHER-UHFFFAOYSA-N
XLogP10.66
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene with MolForge

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Related Compounds

N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline
CID 118545715
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
15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 140957626
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510159
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90191508
15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174350700
N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405637
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
19-phenyl-9-oxa-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126737993
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene
CID 134252619

Frequently Asked Questions

What is the IUPAC name of 19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene?
The IUPAC name of 19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene (CID 142289915) is 19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene.
What is the SMILES notation for 19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene?
The canonical SMILES for 19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(ccc6ccc7c8ccccc8oc7c65)c43)cc2)cc1.
What is the InChIKey of 19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene?
The InChIKey is RZNRWGLEEVOHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NO/c1-2-8-24(9-3-1)25-14-18-27(19-15-25)39-34-12-6-4-10-28(34)31-23-22-30-32(37(31)39)20-16-26-17-21-33-29-11-5-7-13-35(29)40-38(33)36(26)30/h1-23H.
What are the key properties of 19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene?
19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene has a molecular weight of 509.61 g/mol, XLogP of 10.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene is sourced from PubChem (CID 142289915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).