5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine

C55H40N4O — CID 71211308

IUPAC5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)Cc2cc(N(c4ccccc4)c4ccccc4)cc4c2N3c2ccc(N(c3ccccc3)c3ccccc3)cc2O4)cc1
InChIInChI=1S/C55H40N4O/c1-7-19-42(20-8-1)56(43-21-9-2-10-22-43)48-31-33-51-40(36-48)35-41-37-50(58(46-27-15-5-16-28-46)47-29-17-6-18-30-47)39-54-55(41)59(51)52-34-32-49(38-53(52)60-54)57(44-23-11-3-12-24-44)45-25-13-4-14-26-45/h1-34,36-39H,35H2
InChIKeyPGQLABDCXWFKGE-UHFFFAOYSA-N
MW772.95 g/mol
LogP15.58
Rot. Bonds9

About 5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine

5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine (PubChem CID 71211308) has the molecular formula C55H40N4O and a molecular weight of 772.95 g/mol. Its IUPAC name is 5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine.

Molecular Properties

Compound Name5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
PubChem CID71211308
Molecular FormulaC55H40N4O
Molecular Weight772.95 g/mol
Exact Mass772.32
IUPAC Name5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)Cc2cc(N(c4ccccc4)c4ccccc4)cc4c2N3c2ccc(N(c3ccccc3)c3ccccc3)cc2O4)cc1
InChIInChI=1S/C55H40N4O/c1-7-19-42(20-8-1)56(43-21-9-2-10-22-43)48-31-33-51-40(36-48)35-41-37-50(58(46-27-15-5-16-28-46)47-29-17-6-18-30-47)39-54-55(41)59(51)52-34-32-49(38-53(52)60-54)57(44-23-11-3-12-24-44)45-25-13-4-14-26-45/h1-34,36-39H,35H2
InChIKeyPGQLABDCXWFKGE-UHFFFAOYSA-N
XLogP15.58
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157154846
4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol
CID 130352999
3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine
CID 118518276
N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-phenylbicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 121412737
methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 160648870
N-dibenzofuran-2-yl-N,10-diphenyl-9H-acridin-3-amine
CID 163843663
2,7-bis(4-carbazol-9-ylphenyl)-10-phenyl-9H-acridine;7-carbazol-9-yl-N-(7-carbazol-9-yl-9H-fluoren-2-yl)-N-phenyl-9H-fluoren-2-amine;ethane;2-N,7-N,7-N-triphenyl-2-N-[7-(N-phenylanilino)-9H-fluoren-2-yl]-9H-fluorene-2,7-diamine
CID 162131093
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
3,17-diethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 123275389
9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine
CID 167347187
10-cyclohexa-1,3-dien-5-yn-1-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine
CID 123861198

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?
The IUPAC name of 5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine (CID 71211308) is 5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine.
What is the SMILES notation for 5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?
The canonical SMILES for 5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)Cc2cc(N(c4ccccc4)c4ccccc4)cc4c2N3c2ccc(N(c3ccccc3)c3ccccc3)cc2O4)cc1.
What is the InChIKey of 5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?
The InChIKey is PGQLABDCXWFKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N4O/c1-7-19-42(20-8-1)56(43-21-9-2-10-22-43)48-31-33-51-40(36-48)35-41-37-50(58(46-27-15-5-16-28-46)47-29-17-6-18-30-47)39-54-55(41)59(51)52-34-32-49(38-53(52)60-54)57(44-23-11-3-12-24-44)45-25-13-4-14-26-45/h1-34,36-39H,35H2.
What are the key properties of 5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?
5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine has a molecular weight of 772.95 g/mol, XLogP of 15.58, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine is sourced from PubChem (CID 71211308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).