3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine

C54H36N2O — CID 118359824

IUPAC3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4c5c(ccc6cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)c7cccc(c7c65)O4)c3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-5-14-37(15-6-1)39-26-30-45(31-27-39)55(43-18-9-3-10-19-43)47-34-41-24-25-42-35-49(48-22-13-23-50-54(48)53(42)52(41)51(36-47)57-50)56(44-20-11-4-12-21-44)46-32-28-40(29-33-46)38-16-7-2-8-17-38/h1-36H
InChIKeyZUHPNEYHERJCMI-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.53
Rot. Bonds8

About 3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine

3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine (PubChem CID 118359824) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine.

Molecular Properties

Compound Name3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
PubChem CID118359824
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC Name3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4c5c(ccc6cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)c7cccc(c7c65)O4)c3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-5-14-37(15-6-1)39-26-30-45(31-27-39)55(43-18-9-3-10-19-43)47-34-41-24-25-42-35-49(48-22-13-23-50-54(48)53(42)52(41)51(36-47)57-50)56(44-20-11-4-12-21-44)46-32-28-40(29-33-46)38-16-7-2-8-17-38/h1-36H
InChIKeyZUHPNEYHERJCMI-UHFFFAOYSA-N
XLogP15.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine 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-N,10-N-bis(2,3,4,5,6-pentadeuteriophenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 118359830
N-naphthalen-2-yl-10-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaen-3-amine
CID 118359926
5-N,12-N-diphenyl-5-N,12-N-bis(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10(18),11,13,15-octaene-5,12-diamine
CID 166986850
3-N-naphthalen-1-yl-10-N-naphthalen-2-yl-3-N,10-N-bis(2-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 118359841
3-N,10-N-di(dibenzofuran-4-yl)-10-N-phenyl-3-N-(2-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 118359848
11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine
CID 168855464
2-N,7-N-diphenyl-2-N,7-N-bis(4-phenylphenyl)pyrene-2,7-diamine
CID 59260457
11-N-naphthalen-1-yl-4-N,4-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine
CID 166900455
3-N,10-N-di(dibenzothiophen-4-yl)-3-N,10-N-bis(2-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 118359874
10-N-(9,9-dimethyl-8-phenylfluoren-1-yl)-3-N-(9H-fluoren-1-yl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 118359928
5-N,5-N-diphenyl-12-N,12-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-5,12-diamine
CID 168855809
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]pyren-4-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine;4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]aniline
CID 158650281

Frequently Asked Questions

What is the IUPAC name of 3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?
The IUPAC name of 3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine (CID 118359824) is 3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine.
What is the SMILES notation for 3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?
The canonical SMILES for 3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc4c5c(ccc6cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)c7cccc(c7c65)O4)c3)cc2)cc1.
What is the InChIKey of 3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?
The InChIKey is ZUHPNEYHERJCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-5-14-37(15-6-1)39-26-30-45(31-27-39)55(43-18-9-3-10-19-43)47-34-41-24-25-42-35-49(48-22-13-23-50-54(48)53(42)52(41)51(36-47)57-50)56(44-20-11-4-12-21-44)46-32-28-40(29-33-46)38-16-7-2-8-17-38/h1-36H.
What are the key properties of 3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?
3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine has a molecular weight of 728.90 g/mol, XLogP of 15.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine is sourced from PubChem (CID 118359824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).