15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one

C51H31N3O — CID 168933321

IUPAC15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one
SMILESO=c1c2cc3c(cc2c2cc4c5c6ccccc6ccc5n(-c5ccccc5)c4cc2n1-c1ccccc1)c1c2ccccc2ccc1n3-c1ccccc1
InChIInChI=1S/C51H31N3O/c55-51-41-30-46-42(49-37-22-12-10-14-32(37)24-26-44(49)52(46)34-16-4-1-5-17-34)28-39(41)40-29-43-48(31-47(40)54(51)36-20-8-3-9-21-36)53(35-18-6-2-7-19-35)45-27-25-33-15-11-13-23-38(33)50(43)45/h1-31H
InChIKeyIFQDGKIFBMCJNC-UHFFFAOYSA-N
MW701.83 g/mol
LogP12.64
Rot. Bonds3

About 15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one

15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one (PubChem CID 168933321) has the molecular formula C51H31N3O and a molecular weight of 701.83 g/mol. Its IUPAC name is 15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one.

Molecular Properties

Compound Name15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one
PubChem CID168933321
Molecular FormulaC51H31N3O
Molecular Weight701.83 g/mol
Exact Mass701.25
IUPAC Name15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one
SMILESO=c1c2cc3c(cc2c2cc4c5c6ccccc6ccc5n(-c5ccccc5)c4cc2n1-c1ccccc1)c1c2ccccc2ccc1n3-c1ccccc1
InChIInChI=1S/C51H31N3O/c55-51-41-30-46-42(49-37-22-12-10-14-32(37)24-26-44(49)52(46)34-16-4-1-5-17-34)28-39(41)40-29-43-48(31-47(40)54(51)36-20-8-3-9-21-36)53(35-18-6-2-7-19-35)45-27-25-33-15-11-13-23-38(33)50(43)45/h1-31H
InChIKeyIFQDGKIFBMCJNC-UHFFFAOYSA-N
XLogP12.64
TPSA31.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one with MolForge

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Related Compounds

12-phenyl-16-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 154589180
16-[2,5-dimethyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 163572455
10-methyl-7-phenylbenzo[c]carbazole
CID 66635542
15,20-diphenyl-11-[4-(4-phenylphenyl)phenyl]-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933457
16-(3-naphthalen-1-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 174232921
11,15-diphenyl-20-(3-phenylphenyl)-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933422
16-(4-naphthalen-1-ylphenyl)-12-(9-phenylcarbazol-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 164761193
12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134222275
16-naphthalen-2-yl-12-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 147057868
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole;7-phenyl-3-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole
CID 159885247
12-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59103404
22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-3-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene
CID 177086872

Frequently Asked Questions

What is the IUPAC name of 15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one?
The IUPAC name of 15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one (CID 168933321) is 15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one.
What is the SMILES notation for 15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one?
The canonical SMILES for 15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one is O=c1c2cc3c(cc2c2cc4c5c6ccccc6ccc5n(-c5ccccc5)c4cc2n1-c1ccccc1)c1c2ccccc2ccc1n3-c1ccccc1.
What is the InChIKey of 15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one?
The InChIKey is IFQDGKIFBMCJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O/c55-51-41-30-46-42(49-37-22-12-10-14-32(37)24-26-44(49)52(46)34-16-4-1-5-17-34)28-39(41)40-29-43-48(31-47(40)54(51)36-20-8-3-9-21-36)53(35-18-6-2-7-19-35)45-27-25-33-15-11-13-23-38(33)50(43)45/h1-31H.
What are the key properties of 15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one?
15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one has a molecular weight of 701.83 g/mol, XLogP of 12.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one is sourced from PubChem (CID 168933321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).