16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one

C55H35N3O — CID 168933483

IUPAC16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one
SMILESO=c1c2cc3c(cc2c2ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c2n1-c1ccccc1)c1ccccc1n3-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C55H35N3O/c59-55-49-35-52-48(44-27-11-12-28-50(44)56(52)41-24-14-20-38(32-41)36-16-4-1-5-17-36)34-47(49)46-31-30-45-43-26-10-13-29-51(43)57(53(45)54(46)58(55)40-22-8-3-9-23-40)42-25-15-21-39(33-42)37-18-6-2-7-19-37/h1-35H
InChIKeyLQFJPYZDPSKYCG-UHFFFAOYSA-N
MW753.91 g/mol
LogP13.67
Rot. Bonds5

About 16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one

16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one (PubChem CID 168933483) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is 16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one.

Molecular Properties

Compound Name16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one
PubChem CID168933483
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC Name16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one
SMILESO=c1c2cc3c(cc2c2ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c2n1-c1ccccc1)c1ccccc1n3-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C55H35N3O/c59-55-49-35-52-48(44-27-11-12-28-50(44)56(52)41-24-14-20-38(32-41)36-16-4-1-5-17-36)34-47(49)46-31-30-45-43-26-10-13-29-51(43)57(53(45)54(46)58(55)40-22-8-3-9-23-40)42-25-15-21-39(33-42)37-18-6-2-7-19-37/h1-35H
InChIKeyLQFJPYZDPSKYCG-UHFFFAOYSA-N
XLogP13.67
TPSA31.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.91
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one with MolForge

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Related Compounds

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
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610
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
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
7-phenyl-5-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-b]carbazole
CID 134168539
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one
CID 147136611
11-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168734
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520

Frequently Asked Questions

What is the IUPAC name of 16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one?
The IUPAC name of 16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one (CID 168933483) is 16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one.
What is the SMILES notation for 16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one?
The canonical SMILES for 16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one is O=c1c2cc3c(cc2c2ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c2n1-c1ccccc1)c1ccccc1n3-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one?
The InChIKey is LQFJPYZDPSKYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c59-55-49-35-52-48(44-27-11-12-28-50(44)56(52)41-24-14-20-38(32-41)36-16-4-1-5-17-36)34-47(49)46-31-30-45-43-26-10-13-29-51(43)57(53(45)54(46)58(55)40-22-8-3-9-23-40)42-25-15-21-39(33-42)37-18-6-2-7-19-37/h1-35H.
What are the key properties of 16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one?
16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one has a molecular weight of 753.91 g/mol, XLogP of 13.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one is sourced from PubChem (CID 168933483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).