(Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine

C28H24N2 — CID 6152349

IUPAC(Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine
SMILESc1ccc2c3c(ccc2c1)CCC/C3=N/N=C1/CCCc2ccc3ccccc3c21
InChIInChI=1S/C28H24N2/c1-3-11-23-19(7-1)15-17-21-9-5-13-25(27(21)23)29-30-26-14-6-10-22-18-16-20-8-2-4-12-24(20)28(22)26/h1-4,7-8,11-12,15-18H,5-6,9-10,13-14H2/b29-25-,30-26-
InChIKeyXTBNUTYWLHXYLG-IDDWGTJGSA-N
MW388.51 g/mol
LogP6.86
Rot. Bonds1

About (Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine

(Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine (PubChem CID 6152349) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine
PubChem CID6152349
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name(Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine
SMILESc1ccc2c3c(ccc2c1)CCC/C3=N/N=C1/CCCc2ccc3ccccc3c21
InChIInChI=1S/C28H24N2/c1-3-11-23-19(7-1)15-17-21-9-5-13-25(27(21)23)29-30-26-14-6-10-22-18-16-20-8-2-4-12-24(20)28(22)26/h1-4,7-8,11-12,15-18H,5-6,9-10,13-14H2/b29-25-,30-26-
InChIKeyXTBNUTYWLHXYLG-IDDWGTJGSA-N
XLogP6.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine with MolForge

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Related Compounds

pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene
CID 12582397
9-azapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 177485700
pentacyclo[11.8.0.02,10.03,7.014,19]henicosa-1(13),2(10),3(7),8,11,14,16,18,20-nonaene
CID 90921064
(9R,10R)-2-(2,3-dihydro-1H-phenanthren-4-ylidene)-9,10-diethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 12061337
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CID 174248896
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
13-methyl-13-silapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 100921438
(3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one
CID 14940541
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine?
The IUPAC name of (Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine (CID 6152349) is (Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine.
What is the SMILES notation for (Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine?
The canonical SMILES for (Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine is c1ccc2c3c(ccc2c1)CCC/C3=N/N=C1/CCCc2ccc3ccccc3c21.
What is the InChIKey of (Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine?
The InChIKey is XTBNUTYWLHXYLG-IDDWGTJGSA-N. The full InChI is InChI=1S/C28H24N2/c1-3-11-23-19(7-1)15-17-21-9-5-13-25(27(21)23)29-30-26-14-6-10-22-18-16-20-8-2-4-12-24(20)28(22)26/h1-4,7-8,11-12,15-18H,5-6,9-10,13-14H2/b29-25-,30-26-.
What are the key properties of (Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine?
(Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine has a molecular weight of 388.51 g/mol, XLogP of 6.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine is sourced from PubChem (CID 6152349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).