17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one

C30H17NO — CID 155933213

IUPAC17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one
SMILES[H]/N=C1\C(=O)c2ccc3ccc4ccccc4c3c2-c2c1ccc1ccc3ccccc3c21
InChIInChI=1S/C30H17NO/c31-29-23-15-13-19-11-9-17-5-1-3-7-21(17)25(19)27(23)28-24(30(29)32)16-14-20-12-10-18-6-2-4-8-22(18)26(20)28/h1-16,31H/b31-29-
InChIKeyWRLKKENYFUPWFI-YCNYHXFESA-N
MW407.47 g/mol
LogP7.53
Rot. Bonds

About 17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one

17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one (PubChem CID 155933213) has the molecular formula C30H17NO and a molecular weight of 407.47 g/mol. Its IUPAC name is 17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one.

Molecular Properties

Compound Name17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one
PubChem CID155933213
Molecular FormulaC30H17NO
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC Name17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one
SMILES[H]/N=C1\C(=O)c2ccc3ccc4ccccc4c3c2-c2c1ccc1ccc3ccccc3c21
InChIInChI=1S/C30H17NO/c31-29-23-15-13-19-11-9-17-5-1-3-7-21(17)25(19)27(23)28-24(30(29)32)16-14-20-12-10-18-6-2-4-8-22(18)26(20)28/h1-16,31H/b31-29-
InChIKeyWRLKKENYFUPWFI-YCNYHXFESA-N
XLogP7.53
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one 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

heptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20(29),21,23,25,27-tetradecaen-16-one
CID 102495054
3-(1,2,4-trioxophenanthren-3-yl)phenanthrene-1,2,4-trione
CID 10343512
benzo[c]fluoren-7-one
CID 22413
benzo[c]phenanthrene;tris(triphenylene)
CID 157372160
14-hydroxy-12-imino-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-one
CID 136900125
2-[2-[3-[2-(1,3-dioxonaphtho[1,2-e]isoindol-2-yl)ethylamino]propylamino]ethyl]naphtho[1,2-e]isoindole-1,3-dione
CID 57046837
2,3-dimethoxyphenanthrene-1,4-dione
CID 14003225
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
1-phenylbenzo[c]phenanthrene-5,6-dione
CID 10892989
1-hydroxyphenanthrene-3,4-dione
CID 14905308
8,9,10,11-tetradeuteriobenzo[a]anthracene-7,12-dione
CID 169434082
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513

Frequently Asked Questions

What is the IUPAC name of 17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one?
The IUPAC name of 17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one (CID 155933213) is 17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one.
What is the SMILES notation for 17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one?
The canonical SMILES for 17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one is [H]/N=C1\C(=O)c2ccc3ccc4ccccc4c3c2-c2c1ccc1ccc3ccccc3c21.
What is the InChIKey of 17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one?
The InChIKey is WRLKKENYFUPWFI-YCNYHXFESA-N. The full InChI is InChI=1S/C30H17NO/c31-29-23-15-13-19-11-9-17-5-1-3-7-21(17)25(19)27(23)28-24(30(29)32)16-14-20-12-10-18-6-2-4-8-22(18)26(20)28/h1-16,31H/b31-29-.
What are the key properties of 17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one?
17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one has a molecular weight of 407.47 g/mol, XLogP of 7.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-iminoheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,19,21(30),22,24,26,28-tetradecaen-16-one is sourced from PubChem (CID 155933213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).